2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide

C24H29ClN2O3 — CID 132610630

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2Cl)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-17(24(29)26-20-8-4-5-9-20)27(16-18-11-13-21(30-2)14-12-18)23(28)15-19-7-3-6-10-22(19)25/h3,6-7,10-14,17,20H,4-5,8-9,15-16H2,1-2H3,(H,26,29)
InChIKeyHAPISFARYHJOFF-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.37
Rot. Bonds8

About 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide

2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide (PubChem CID 132610630) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
PubChem CID132610630
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2Cl)C(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H29ClN2O3/c1-17(24(29)26-20-8-4-5-9-20)27(16-18-11-13-21(30-2)14-12-18)23(28)15-19-7-3-6-10-22(19)25/h3,6-7,10-14,17,20H,4-5,8-9,15-16H2,1-2H3,(H,26,29)
InChIKeyHAPISFARYHJOFF-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
(2R)-N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516508
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132617889
2-[(4-bromophenyl)methyl-[2-(2-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196485
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132610381
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100720693
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516488
2-[(2-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 132616083
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132624625
N-[(2-chlorophenyl)methyl]-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 132615822

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide (CID 132610630) is 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide is COc1ccc(CN(C(=O)Cc2ccccc2Cl)C(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
The InChIKey is HAPISFARYHJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-17(24(29)26-20-8-4-5-9-20)27(16-18-11-13-21(30-2)14-12-18)23(28)15-19-7-3-6-10-22(19)25/h3,6-7,10-14,17,20H,4-5,8-9,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide has a molecular weight of 428.96 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132610630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).