2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

C33H36N2O2 — CID 133212215

IUPAC2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C33H36N2O2/c1-25(2)23-34-33(37)31(22-26-12-5-3-6-13-26)35(24-27-14-7-4-8-15-27)32(36)21-20-29-18-11-17-28-16-9-10-19-30(28)29/h3-19,25,31H,20-24H2,1-2H3,(H,34,37)
InChIKeyRTTUWXKFEZCISW-UHFFFAOYSA-N
MW492.66 g/mol
LogP6.18
Rot. Bonds11

About 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133212215) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133212215
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C33H36N2O2/c1-25(2)23-34-33(37)31(22-26-12-5-3-6-13-26)35(24-27-14-7-4-8-15-27)32(36)21-20-29-18-11-17-28-16-9-10-19-30(28)29/h3-19,25,31H,20-24H2,1-2H3,(H,34,37)
InChIKeyRTTUWXKFEZCISW-UHFFFAOYSA-N
XLogP6.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100584985
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741353
N-benzyl-N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 100741860
(2S)-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517197
(2R)-2-[(4-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100679846
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195752
(2S)-2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100522740
2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133257570
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171831
(2S)-2-[(3-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100708153
2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132623446
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133212215) is 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is RTTUWXKFEZCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-25(2)23-34-33(37)31(22-26-12-5-3-6-13-26)35(24-27-14-7-4-8-15-27)32(36)21-20-29-18-11-17-28-16-9-10-19-30(28)29/h3-19,25,31H,20-24H2,1-2H3,(H,34,37).
What are the key properties of 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 492.66 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133212215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).