2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide

C15H19N3O — CID 47037369

IUPAC2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-9-12-5-7-13(8-6-12)10-18(11-15(17)19)14-3-1-2-4-14/h5-8,14H,1-4,10-11H2,(H2,17,19)
InChIKeyXIVNUYWTSCOWBJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.79
Rot. Bonds5

About 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide

2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide (PubChem CID 47037369) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide
PubChem CID47037369
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1
InChIInChI=1S/C15H19N3O/c16-9-12-5-7-13(8-6-12)10-18(11-15(17)19)14-3-1-2-4-14/h5-8,14H,1-4,10-11H2,(H2,17,19)
InChIKeyXIVNUYWTSCOWBJ-UHFFFAOYSA-N
XLogP1.79
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11076103
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
1-(2-Benzylamino-acetyl)-pyrrolidine-2-carbonitrile
CID 11746838
(2S,4S)-4-Fluoro-1-(N-{2-[(4-cyanobenzyl)amino]-1,1-dimethylethyl}glycyl)pyrrolidine-2-carbonitrile
CID 44560283
1-{[(4-Fluorobenzyl)amino]acetyl}-2-pyrrolidinecarbonitrile
CID 23646105
Acetamide, 2-(diethylamino)-N-(1-phenylethyl)-, (S)-
CID 215810
2-(Diethylamino)-N-(1-phenylpropyl)ethanimidic acid
CID 209461
Acetamide, 2-(diethylamino)-N-(1-phenylethyl)-, (R)-
CID 215809
N-(alpha-Cyanobenzyl)-2-(dimethylamino)propionamide
CID 3063404
N-(alpha-Cyanobenzyl)-2-(diethylamino)propionamide
CID 3063461
Valeramide, N-(alpha-cyanobenzyl)-2-(dimethylamino)-
CID 3063462

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide (CID 47037369) is 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide is N#Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The InChIKey is XIVNUYWTSCOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-12-5-7-13(8-6-12)10-18(11-15(17)19)14-3-1-2-4-14/h5-8,14H,1-4,10-11H2,(H2,17,19).
What are the key properties of 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide?
2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 47037369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).