2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide

C16H18N2O3 — CID 7434176

IUPAC2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-6-2-3-7-14(13)21-10-15(20)18-16(11-17)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,20)
InChIKeySHGNYPQOZQHDSZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide

2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 7434176) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
PubChem CID7434176
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
SMILESCC(=O)c1ccccc1OCC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-6-2-3-7-14(13)21-10-15(20)18-16(11-17)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,20)
InChIKeySHGNYPQOZQHDSZ-UHFFFAOYSA-N
XLogP2.22
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
5-chloro-2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578741
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318201
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(2-bromophenyl)methoxy]benzoate
CID 41195762
2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
CID 30032881
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609690
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841982
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827716

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide (CID 7434176) is 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide is CC(=O)c1ccccc1OCC(=O)NC1(C#N)CCCC1.
What is the InChIKey of 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is SHGNYPQOZQHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(19)13-6-2-3-7-14(13)21-10-15(20)18-16(11-17)8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3,(H,18,20).
What are the key properties of 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide?
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 7434176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).