2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide

C21H32N2O2 — CID 132761148

IUPAC2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCCC(=O)N(Cc1ccccc1C)C(CC)C(=O)NC1CCCC1
InChIInChI=1S/C21H32N2O2/c1-4-10-20(24)23(15-17-12-7-6-11-16(17)3)19(5-2)21(25)22-18-13-8-9-14-18/h6-7,11-12,18-19H,4-5,8-10,13-15H2,1-3H3,(H,22,25)
InChIKeyYUGJQYYBCNJSHB-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.96
Rot. Bonds8

About 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide

2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide (PubChem CID 132761148) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
PubChem CID132761148
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
SMILESCCCC(=O)N(Cc1ccccc1C)C(CC)C(=O)NC1CCCC1
InChIInChI=1S/C21H32N2O2/c1-4-10-20(24)23(15-17-12-7-6-11-16(17)3)19(5-2)21(25)22-18-13-8-9-14-18/h6-7,11-12,18-19H,4-5,8-10,13-15H2,1-3H3,(H,22,25)
InChIKeyYUGJQYYBCNJSHB-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-methylphenyl)methyl]butanamide
CID 100580796
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100533134
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132610236
(2S)-2-[3-benzylsulfanylpropanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100534017
(2S)-N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 100535535
N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132986134
2-[(2-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentylbutanamide
CID 132610488
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132611333
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
N-cyclohexyl-2-[(2-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615742
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610464

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide (CID 132761148) is 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide is CCCC(=O)N(Cc1ccccc1C)C(CC)C(=O)NC1CCCC1.
What is the InChIKey of 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
The InChIKey is YUGJQYYBCNJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-10-20(24)23(15-17-12-7-6-11-16(17)3)19(5-2)21(25)22-18-13-8-9-14-18/h6-7,11-12,18-19H,4-5,8-10,13-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide?
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 132761148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).