2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide

C26H33ClN2O2 — CID 132611837

IUPAC2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C26H33ClN2O2/c1-3-24(26(31)28-23-10-5-4-6-11-23)29(18-20-14-12-19(2)13-15-20)25(30)17-21-8-7-9-22(27)16-21/h7-9,12-16,23-24H,3-6,10-11,17-18H2,1-2H3,(H,28,31)
InChIKeyWLIHKIPMPCBWKT-UHFFFAOYSA-N
MW441.02 g/mol
LogP5.45
Rot. Bonds8

About 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide

2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide (PubChem CID 132611837) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
PubChem CID132611837
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C26H33ClN2O2/c1-3-24(26(31)28-23-10-5-4-6-11-23)29(18-20-14-12-19(2)13-15-20)25(30)17-21-8-7-9-22(27)16-21/h7-9,12-16,23-24H,3-6,10-11,17-18H2,1-2H3,(H,28,31)
InChIKeyWLIHKIPMPCBWKT-UHFFFAOYSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614246
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610464
2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132613698
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
N-cyclopentyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132614286
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132763943
(2R)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100576064
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547918
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132763256
(2S)-2-[[2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100544034
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide (CID 132611837) is 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide?
The InChIKey is WLIHKIPMPCBWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c1-3-24(26(31)28-23-10-5-4-6-11-23)29(18-20-14-12-19(2)13-15-20)25(30)17-21-8-7-9-22(27)16-21/h7-9,12-16,23-24H,3-6,10-11,17-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide?
2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide has a molecular weight of 441.02 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 132611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).