2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide

C25H31ClN2O2 — CID 133177214

IUPAC2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31ClN2O2/c1-2-24(29)28(18-20-13-9-10-16-22(20)26)23(17-19-11-5-3-6-12-19)25(30)27-21-14-7-4-8-15-21/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30)
InChIKeyRYYBRKANIPDKPT-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.14
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide (PubChem CID 133177214) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
PubChem CID133177214
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C25H31ClN2O2/c1-2-24(29)28(18-20-13-9-10-16-22(20)26)23(17-19-11-5-3-6-12-19)25(30)27-21-14-7-4-8-15-21/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30)
InChIKeyRYYBRKANIPDKPT-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
(2S)-2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594261
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247793
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247502
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100593281
2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177164
(2S)-2-[(2-chlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100590322
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594100
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247773
N-[(2-chlorophenyl)methyl]-N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenoxybutanamide
CID 100593113
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100580217

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide (CID 133177214) is 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide is CCC(=O)N(Cc1ccccc1Cl)C(Cc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide?
The InChIKey is RYYBRKANIPDKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-2-24(29)28(18-20-13-9-10-16-22(20)26)23(17-19-11-5-3-6-12-19)25(30)27-21-14-7-4-8-15-21/h3,5-6,9-13,16,21,23H,2,4,7-8,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide has a molecular weight of 426.99 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide is sourced from PubChem (CID 133177214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).