2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

C30H33ClN2O3 — CID 133247773

IUPAC2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C30H33ClN2O3/c1-36-26-17-15-23(16-18-26)20-29(34)33(21-24-11-5-8-14-27(24)31)28(19-22-9-3-2-4-10-22)30(35)32-25-12-6-7-13-25/h2-5,8-11,14-18,25,28H,6-7,12-13,19-21H2,1H3,(H,32,35)
InChIKeyYRPBUGCDOYQFJG-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.59
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 133247773) has the molecular formula C30H33ClN2O3 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID133247773
Molecular FormulaC30H33ClN2O3
Molecular Weight505.06 g/mol
Exact Mass504.22
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C30H33ClN2O3/c1-36-26-17-15-23(16-18-26)20-29(34)33(21-24-11-5-8-14-27(24)31)28(19-22-9-3-2-4-10-22)30(35)32-25-12-6-7-13-25/h2-5,8-11,14-18,25,28H,6-7,12-13,19-21H2,1H3,(H,32,35)
InChIKeyYRPBUGCDOYQFJG-UHFFFAOYSA-N
XLogP5.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide
CID 133253732
(2S)-2-[(2-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100590688
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247502
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133177214
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100593281
N-[(2-chlorophenyl)methyl]-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 100594334
2-[(3-bromophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253067
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133261277
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 125105874
2-[[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247666
(2S)-2-[(2-chlorophenyl)methyl-[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100591928

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide (CID 133247773) is 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide is COc1ccc(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is YRPBUGCDOYQFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O3/c1-36-26-17-15-23(16-18-26)20-29(34)33(21-24-11-5-8-14-27(24)31)28(19-22-9-3-2-4-10-22)30(35)32-25-12-6-7-13-25/h2-5,8-11,14-18,25,28H,6-7,12-13,19-21H2,1H3,(H,32,35).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 505.06 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 133247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).