4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide

C16H21N3O — CID 63323965

IUPAC4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
SMILESN#CC1CCCC1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H21N3O/c17-11-13-7-4-8-15(13)19-16(20)10-9-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-10,18H2,(H,19,20)
InChIKeyQSAOQUHLHGILFD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide

4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide (PubChem CID 63323965) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
PubChem CID63323965
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
SMILESN#CC1CCCC1NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H21N3O/c17-11-13-7-4-8-15(13)19-16(20)10-9-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-10,18H2,(H,19,20)
InChIKeyQSAOQUHLHGILFD-UHFFFAOYSA-N
XLogP2.28
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
N-(2-cyanocyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 79602744
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide (CID 63323965) is 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide is N#CC1CCCC1NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide?
The InChIKey is QSAOQUHLHGILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-13-7-4-8-15(13)19-16(20)10-9-14(18)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-10,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide?
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide has a molecular weight of 271.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide is sourced from PubChem (CID 63323965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).