2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide

C30H29BrN2O2 — CID 132623446

IUPAC2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H29BrN2O2/c1-32-30(35)28(20-22-9-3-2-4-10-22)33(21-23-11-7-15-26(31)19-23)29(34)18-17-25-14-8-13-24-12-5-6-16-27(24)25/h2-16,19,28H,17-18,20-21H2,1H3,(H,32,35)
InChIKeyCDDLFNHBTWEIOL-UHFFFAOYSA-N
MW529.48 g/mol
LogP5.92
Rot. Bonds9

About 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide

2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 132623446) has the molecular formula C30H29BrN2O2 and a molecular weight of 529.48 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID132623446
Molecular FormulaC30H29BrN2O2
Molecular Weight529.48 g/mol
Exact Mass528.14
IUPAC Name2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H29BrN2O2/c1-32-30(35)28(20-22-9-3-2-4-10-22)33(21-23-11-7-15-26(31)19-23)29(34)18-17-25-14-8-13-24-12-5-6-16-27(24)25/h2-16,19,28H,17-18,20-21H2,1H3,(H,32,35)
InChIKeyCDDLFNHBTWEIOL-UHFFFAOYSA-N
XLogP5.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(2S)-2-[(3-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100708153
2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132621952
2-[(3-bromophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132620764
(2R)-2-[(4-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100679846
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215
2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132619394
2-[(3-bromophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132618431
(2S)-2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100584985
(2S)-2-[(3-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100522467
2-[(3-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 133232432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide (CID 132623446) is 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is CDDLFNHBTWEIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29BrN2O2/c1-32-30(35)28(20-22-9-3-2-4-10-22)33(21-23-11-7-15-26(31)19-23)29(34)18-17-25-14-8-13-24-12-5-6-16-27(24)25/h2-16,19,28H,17-18,20-21H2,1H3,(H,32,35).
What are the key properties of 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 529.48 g/mol, XLogP of 5.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132623446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).