(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide

C23H29NO — CID 7447883

IUPAC(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
SMILESCC(C)[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-17(2)21(18-11-5-3-6-12-18)23(25)24-22(20-15-9-10-16-20)19-13-7-4-8-14-19/h3-8,11-14,17,20-22H,9-10,15-16H2,1-2H3,(H,24,25)/t21-,22-/m0/s1
InChIKeyUSTOLXCFVDJPMI-VXKWHMMOSA-N
MW335.49 g/mol
LogP5.47
Rot. Bonds6

About (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide

(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide (PubChem CID 7447883) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
PubChem CID7447883
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide
SMILESCC(C)[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1
InChIInChI=1S/C23H29NO/c1-17(2)21(18-11-5-3-6-12-18)23(25)24-22(20-15-9-10-16-20)19-13-7-4-8-14-19/h3-8,11-14,17,20-22H,9-10,15-16H2,1-2H3,(H,24,25)/t21-,22-/m0/s1
InChIKeyUSTOLXCFVDJPMI-VXKWHMMOSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630
4-[[cyclopentyl(phenyl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672939
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide (CID 7447883) is (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide is CC(C)[C@H](C(=O)N[C@@H](c1ccccc1)C1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide?
The InChIKey is USTOLXCFVDJPMI-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H29NO/c1-17(2)21(18-11-5-3-6-12-18)23(25)24-22(20-15-9-10-16-20)19-13-7-4-8-14-19/h3-8,11-14,17,20-22H,9-10,15-16H2,1-2H3,(H,24,25)/t21-,22-/m0/s1.
What are the key properties of (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide?
(2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide has a molecular weight of 335.49 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(R)-cyclopentyl(phenyl)methyl]-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 7447883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).