N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide

C30H34N2O3 — CID 133261277

IUPACN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
SMILESCOc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)c1
InChIInChI=1S/C30H34N2O3/c1-35-27-18-10-15-25(19-27)22-32(29(33)21-24-13-6-3-7-14-24)28(20-23-11-4-2-5-12-23)30(34)31-26-16-8-9-17-26/h2-7,10-15,18-19,26,28H,8-9,16-17,20-22H2,1H3,(H,31,34)
InChIKeyZSJDITCOPSGOEM-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.94
Rot. Bonds10

About N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide (PubChem CID 133261277) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
PubChem CID133261277
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC NameN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
SMILESCOc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)c1
InChIInChI=1S/C30H34N2O3/c1-35-27-18-10-15-25(19-27)22-32(29(33)21-24-13-6-3-7-14-24)28(20-23-11-4-2-5-12-23)30(34)31-26-16-8-9-17-26/h2-7,10-15,18-19,26,28H,8-9,16-17,20-22H2,1H3,(H,31,34)
InChIKeyZSJDITCOPSGOEM-UHFFFAOYSA-N
XLogP4.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133261544
2-[(3-bromophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253067
N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132613131
(2R)-N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100546377
(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 133200886
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100546776
(2R)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100546785
(2R)-N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-3-phenylpropanamide
CID 100543569
(2S)-2-[(3-bromophenyl)methyl-(2-phenylacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 100518697
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132611759
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132613717

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide (CID 133261277) is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide is COc1cccc(CN(C(=O)Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
The InChIKey is ZSJDITCOPSGOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-35-27-18-10-15-25(19-27)22-32(29(33)21-24-13-6-3-7-14-24)28(20-23-11-4-2-5-12-23)30(34)31-26-16-8-9-17-26/h2-7,10-15,18-19,26,28H,8-9,16-17,20-22H2,1H3,(H,31,34).
What are the key properties of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide?
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide has a molecular weight of 470.61 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 133261277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).