N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide

C24H31N3O2 — CID 131940308

IUPACN-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(C)CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-17-8-11-19(12-9-17)15-27(3)16-23(28)25-22-14-18(2)10-13-21(22)26-24(29)20-6-4-5-7-20/h8-14,20H,4-7,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIEFTYFWOXLGEMD-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.50
Rot. Bonds7

About N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide

N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide (PubChem CID 131940308) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
PubChem CID131940308
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(CN(C)CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c1-17-8-11-19(12-9-17)15-27(3)16-23(28)25-22-14-18(2)10-13-21(22)26-24(29)20-6-4-5-7-20/h8-14,20H,4-7,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIEFTYFWOXLGEMD-UHFFFAOYSA-N
XLogP4.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131897893
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
CID 131911003
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
2-[benzyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8901380
N-(2-fluoro-4-methylphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9221410
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide (CID 131940308) is N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide is Cc1ccc(CN(C)CC(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide?
The InChIKey is IEFTYFWOXLGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-8-11-19(12-9-17)15-27(3)16-23(28)25-22-14-18(2)10-13-21(22)26-24(29)20-6-4-5-7-20/h8-14,20H,4-7,15-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide?
N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 131940308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).