2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide

C33H36N2O2 — CID 133195752

IUPAC2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccccc1CN(C(=O)CCc1cccc2ccccc12)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C33H36N2O2/c1-24(2)34-33(37)31(22-26-13-5-4-6-14-26)35(23-29-16-8-7-12-25(29)3)32(36)21-20-28-18-11-17-27-15-9-10-19-30(27)28/h4-19,24,31H,20-23H2,1-3H3,(H,34,37)
InChIKeyFAWPTGDPDCWNCZ-UHFFFAOYSA-N
MW492.66 g/mol
LogP6.25
Rot. Bonds10

About 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide

2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133195752) has the molecular formula C33H36N2O2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID133195752
Molecular FormulaC33H36N2O2
Molecular Weight492.66 g/mol
Exact Mass492.28
IUPAC Name2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCc1ccccc1CN(C(=O)CCc1cccc2ccccc12)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C33H36N2O2/c1-24(2)34-33(37)31(22-26-13-5-4-6-14-26)35(23-29-16-8-7-12-25(29)3)32(36)21-20-28-18-11-17-27-15-9-10-19-30(27)28/h4-19,24,31H,20-23H2,1-3H3,(H,34,37)
InChIKeyFAWPTGDPDCWNCZ-UHFFFAOYSA-N
XLogP6.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517197
(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-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195722
2-[3-(4-tert-butylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195664
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215
(2S)-2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100584985
N-butan-2-yl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 133227290
2-[(2-fluorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133262661
(2R)-N-[(2S)-butan-2-yl]-2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100531489
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 133148049
4-[benzenesulfonyl(methyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133195731

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133195752) is 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)C(Cc1ccccc1)C(=O)NC(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is FAWPTGDPDCWNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2/c1-24(2)34-33(37)31(22-26-13-5-4-6-14-26)35(23-29-16-8-7-12-25(29)3)32(36)21-20-28-18-11-17-27-15-9-10-19-30(27)28/h4-19,24,31H,20-23H2,1-3H3,(H,34,37).
What are the key properties of 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide?
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 492.66 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133195752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).