CAS 85031-42-1

1 2D Structure

CAS 85031-42-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-N-(cyclohexen-1-yl)acetamide

2.1.2 InChI

InChI=1S/C15H19NO/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-10H,3,6-7,11-12H2,1H3

2.1.3 InChI Key

OVAGHKXCGNORSW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)N(CC1=CC=CC=C1)C2=CCCCC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. N-benzyl-n-(cyclohexen-1-yl)acetamide

2. 85031-42-1

3. Dtxsid00511101

4. N-(1-cyclohexenyl)-n-benzylacetamide

5. Ac-28811

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉NO
Molecular Weight	229.32 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	229.146664230 g/mol
Monoisotopic Mass	229.146664230 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	289
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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