N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide

C20H23NO — CID 8798133

IUPACN-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
SMILESCc1ccc([C@@H](NC(=O)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-15-11-13-17(14-12-15)19(16-7-3-2-4-8-16)21-20(22)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyATVJLEJOFZSEFX-IBGZPJMESA-N
MW293.41 g/mol
LogP4.39
Rot. Bonds4

About N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide

N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide (PubChem CID 8798133) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
PubChem CID8798133
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC NameN-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
SMILESCc1ccc([C@@H](NC(=O)C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H23NO/c1-15-11-13-17(14-12-15)19(16-7-3-2-4-8-16)21-20(22)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyATVJLEJOFZSEFX-IBGZPJMESA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
CID 51189650
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
CID 124738701
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
(3R)-N-[(S)-(4-methylphenyl)-phenylmethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 37152907
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 99970769

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide?
The IUPAC name of N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide (CID 8798133) is N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide is Cc1ccc([C@@H](NC(=O)C2CCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide?
The InChIKey is ATVJLEJOFZSEFX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO/c1-15-11-13-17(14-12-15)19(16-7-3-2-4-8-16)21-20(22)18-9-5-6-10-18/h2-4,7-8,11-14,18-19H,5-6,9-10H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide?
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide is sourced from PubChem (CID 8798133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).