N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide

C21H32N4O2 — CID 131897893

IUPACN-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)CN2CCCN(C)CC2)c1
InChIInChI=1S/C21H32N4O2/c1-16-8-9-18(23-21(27)17-6-3-4-7-17)19(14-16)22-20(26)15-25-11-5-10-24(2)12-13-25/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyMVWYARFEOUESCT-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.70
Rot. Bonds5

About N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide

N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide (PubChem CID 131897893) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
PubChem CID131897893
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)c(NC(=O)CN2CCCN(C)CC2)c1
InChIInChI=1S/C21H32N4O2/c1-16-8-9-18(23-21(27)17-6-3-4-7-17)19(14-16)22-20(26)15-25-11-5-10-24(2)12-13-25/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyMVWYARFEOUESCT-UHFFFAOYSA-N
XLogP2.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-[4-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131940308
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-[4-methyl-2-[(5-oxo-5-phenylpentanoyl)amino]phenyl]cyclopentanecarboxamide
CID 131938609
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(4-chlorophenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910194
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 131923639
N-[2-[[2-(5-acetylthiophen-3-yl)acetyl]amino]-4-methylphenyl]cyclopentanecarboxamide
CID 131911003
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide (CID 131897893) is N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)CN2CCCN(C)CC2)c1.
What is the InChIKey of N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide?
The InChIKey is MVWYARFEOUESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16-8-9-18(23-21(27)17-6-3-4-7-17)19(14-16)22-20(26)15-25-11-5-10-24(2)12-13-25/h8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide?
N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 131897893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).