2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide

C16H19N3O2 — CID 108923007

IUPAC2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)CC1CCCC1
InChIInChI=1S/C16H19N3O2/c17-10-9-15(20)18-13-7-3-4-8-14(13)19-16(21)11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9,11H2,(H,18,20)(H,19,21)
InChIKeyVEVUCNKZCNEYTE-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.06
Rot. Bonds5

About 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide

2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide (PubChem CID 108923007) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
PubChem CID108923007
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)CC1CCCC1
InChIInChI=1S/C16H19N3O2/c17-10-9-15(20)18-13-7-3-4-8-14(13)19-16(21)11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9,11H2,(H,18,20)(H,19,21)
InChIKeyVEVUCNKZCNEYTE-UHFFFAOYSA-N
XLogP3.06
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-cyclobutyl-N-(2-iodophenyl)acetamide
CID 103706273
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-[2-[(2-cyanoacetyl)amino]phenyl]adamantane-1-carboxamide
CID 108922974
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide (CID 108923007) is 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide is N#CCC(=O)Nc1ccccc1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide?
The InChIKey is VEVUCNKZCNEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-10-9-15(20)18-13-7-3-4-8-14(13)19-16(21)11-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9,11H2,(H,18,20)(H,19,21).
What are the key properties of 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide?
2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 108923007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).