N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide

C29H32N2O2 — CID 42859607

IUPACN-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C29H32N2O2/c1-21-13-15-23(16-14-21)20-31(29(33)25-9-3-4-10-25)27-12-6-8-24(18-27)19-28(32)30-26-11-5-7-22(2)17-26/h5-8,11-18,25H,3-4,9-10,19-20H2,1-2H3,(H,30,32)
InChIKeyIHWHEBSPJZBJMT-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.21
Rot. Bonds7

About N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide

N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide (PubChem CID 42859607) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
PubChem CID42859607
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC NameN-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C29H32N2O2/c1-21-13-15-23(16-14-21)20-31(29(33)25-9-3-4-10-25)27-12-6-8-24(18-27)19-28(32)30-26-11-5-7-22(2)17-26/h5-8,11-18,25H,3-4,9-10,19-20H2,1-2H3,(H,30,32)
InChIKeyIHWHEBSPJZBJMT-UHFFFAOYSA-N
XLogP6.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046019
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
4-chloro-N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46056893
(E)-N-benzyl-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056577
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46052727
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide (CID 42859607) is N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide is Cc1ccc(CN(C(=O)C2CCCC2)c2cccc(CC(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
The InChIKey is IHWHEBSPJZBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-21-13-15-23(16-14-21)20-31(29(33)25-9-3-4-10-25)27-12-6-8-24(18-27)19-28(32)30-26-11-5-7-22(2)17-26/h5-8,11-18,25H,3-4,9-10,19-20H2,1-2H3,(H,30,32).
What are the key properties of N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide?
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide has a molecular weight of 440.59 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 42859607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).