2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide

C33H40N2O2 — CID 133263599

IUPAC2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C33H40N2O2/c1-25(2)29-20-17-26(18-21-29)19-22-32(36)35(24-28-13-7-4-8-14-28)31(23-27-11-5-3-6-12-27)33(37)34-30-15-9-10-16-30/h3-8,11-14,17-18,20-21,25,30-31H,9-10,15-16,19,22-24H2,1-2H3,(H,34,37)
InChIKeyOLNOXOSEDVZZIG-UHFFFAOYSA-N
MW496.70 g/mol
LogP6.44
Rot. Bonds11

About 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide

2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 133263599) has the molecular formula C33H40N2O2 and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID133263599
Molecular FormulaC33H40N2O2
Molecular Weight496.70 g/mol
Exact Mass496.31
IUPAC Name2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
SMILESCC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C33H40N2O2/c1-25(2)29-20-17-26(18-21-29)19-22-32(36)35(24-28-13-7-4-8-14-28)31(23-27-11-5-3-6-12-27)33(37)34-30-15-9-10-16-30/h3-8,11-14,17-18,20-21,25,30-31H,9-10,15-16,19,22-24H2,1-2H3,(H,34,37)
InChIKeyOLNOXOSEDVZZIG-UHFFFAOYSA-N
XLogP6.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133252741
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133254073
(2R)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100580058
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594100
(2R)-2-[benzyl(3-phenylpropanoyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571887
2-[(4-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133249785
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100603855
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 100650143
(2S)-2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574876
2-[(4-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133265472
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100588604
(2S)-2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-butyl-3-phenylpropanamide
CID 100584559

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide (CID 133263599) is 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide is CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is OLNOXOSEDVZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N2O2/c1-25(2)29-20-17-26(18-21-29)19-22-32(36)35(24-28-13-7-4-8-14-28)31(23-27-11-5-3-6-12-27)33(37)34-30-15-9-10-16-30/h3-8,11-14,17-18,20-21,25,30-31H,9-10,15-16,19,22-24H2,1-2H3,(H,34,37).
What are the key properties of 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide?
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 496.70 g/mol, XLogP of 6.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 133263599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).