(3S)-N-cyclopentyl-3-phenylbutanamide

C15H21NO — CID 697485

IUPAC(3S)-N-cyclopentyl-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(13-7-3-2-4-8-13)11-15(17)16-14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUBFYIRDVECNNPV-LBPRGKRZSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds4

About (3S)-N-cyclopentyl-3-phenylbutanamide

(3S)-N-cyclopentyl-3-phenylbutanamide (PubChem CID 697485) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3S)-N-cyclopentyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-cyclopentyl-3-phenylbutanamide
PubChem CID697485
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3S)-N-cyclopentyl-3-phenylbutanamide
SMILESC[C@@H](CC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(13-7-3-2-4-8-13)11-15(17)16-14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUBFYIRDVECNNPV-LBPRGKRZSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
(3R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-3-phenylbutanamide
CID 95764839
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
N-[(3S)-1-(2-oxochromen-4-yl)azepan-3-yl]-3-phenylbutanamide
CID 132500153
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopentyl-3-phenylbutanamide?
The IUPAC name of (3S)-N-cyclopentyl-3-phenylbutanamide (CID 697485) is (3S)-N-cyclopentyl-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-cyclopentyl-3-phenylbutanamide?
The canonical SMILES for (3S)-N-cyclopentyl-3-phenylbutanamide is C[C@@H](CC(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of (3S)-N-cyclopentyl-3-phenylbutanamide?
The InChIKey is UBFYIRDVECNNPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(13-7-3-2-4-8-13)11-15(17)16-14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-N-cyclopentyl-3-phenylbutanamide?
(3S)-N-cyclopentyl-3-phenylbutanamide has a molecular weight of 231.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopentyl-3-phenylbutanamide is sourced from PubChem (CID 697485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).