1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide

C22H27NO — CID 1220424

IUPAC1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H27NO/c1-18(14-15-19-10-4-2-5-11-19)23-21(24)22(16-8-9-17-22)20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyATJNZKZWGUGVLH-SFHVURJKSA-N
MW321.46 g/mol
LogP4.64
Rot. Bonds6

About 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide

1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide (PubChem CID 1220424) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
PubChem CID1220424
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C22H27NO/c1-18(14-15-19-10-4-2-5-11-19)23-21(24)22(16-8-9-17-22)20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyATJNZKZWGUGVLH-SFHVURJKSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-(4-nitrophenyl)-N-[(2R)-4-phenylbutan-2-yl]cyclopropane-1-carboxamide
CID 100789169
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N'-[(2S)-4-phenylbutan-2-yl]-N-[(1-phenylcyclopentyl)methyl]oxamide
CID 7270600
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide (CID 1220424) is 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is ATJNZKZWGUGVLH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27NO/c1-18(14-15-19-10-4-2-5-11-19)23-21(24)22(16-8-9-17-22)20-12-6-3-7-13-20/h2-7,10-13,18H,8-9,14-17H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide?
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 1220424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).