N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide

C16H20N2O2 — CID 43369129

IUPACN-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
SMILESN#CCOc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H20N2O2/c17-9-10-20-15-8-4-7-14(12-15)18-16(19)11-13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,10-11H2,(H,18,19)
InChIKeyKNXRPWOABCJCQW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.50
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide

N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide (PubChem CID 43369129) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
PubChem CID43369129
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
SMILESN#CCOc1cccc(NC(=O)CC2CCCCC2)c1
InChIInChI=1S/C16H20N2O2/c17-9-10-20-15-8-4-7-14(12-15)18-16(19)11-13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,10-11H2,(H,18,19)
InChIKeyKNXRPWOABCJCQW-UHFFFAOYSA-N
XLogP3.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide (CID 43369129) is N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide is N#CCOc1cccc(NC(=O)CC2CCCCC2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide?
The InChIKey is KNXRPWOABCJCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-9-10-20-15-8-4-7-14(12-15)18-16(19)11-13-5-2-1-3-6-13/h4,7-8,12-13H,1-3,5-6,10-11H2,(H,18,19).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide?
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide has a molecular weight of 272.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide is sourced from PubChem (CID 43369129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).