N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide

C27H28N2O3 — CID 2215404

IUPACN-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1
InChIInChI=1S/C27H28N2O3/c1-19-5-7-20(8-6-19)25(30)28-22-11-9-21(10-12-22)27(17-3-4-18-27)26(31)29-23-13-15-24(32-2)16-14-23/h5-16H,3-4,17-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXTLVEAFDMSTSJU-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.71
Rot. Bonds6

About N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide

N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide (PubChem CID 2215404) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide
PubChem CID2215404
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1
InChIInChI=1S/C27H28N2O3/c1-19-5-7-20(8-6-19)25(30)28-22-11-9-21(10-12-22)27(17-3-4-18-27)26(31)29-23-13-15-24(32-2)16-14-23/h5-16H,3-4,17-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXTLVEAFDMSTSJU-UHFFFAOYSA-N
XLogP5.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AR-15512
CID 11266244
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-(4-methoxyphenyl)-2-(1-naphthyl)acetamide
CID 835395
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 684458
Benzamide, N-(4-ethoxyphenyl)-
CID 203878
N,N'-Bis(3-methoxyphenyl)terephthalamide
CID 248372
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 4880035
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenylphenyl)formamido]propanamide
CID 11306593

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide (CID 2215404) is N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide is COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1.
What is the InChIKey of N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide?
The InChIKey is XTLVEAFDMSTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-19-5-7-20(8-6-19)25(30)28-22-11-9-21(10-12-22)27(17-3-4-18-27)26(31)29-23-13-15-24(32-2)16-14-23/h5-16H,3-4,17-18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide?
N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide has a molecular weight of 428.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-methoxyphenyl)carbamoyl]cyclopentyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 2215404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).