N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C25H28N2O2 — CID 132658805

IUPACN-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-18-8-6-9-20(16-18)17-27(19(2)25(29)26-3)24(28)15-14-22-12-7-11-21-10-4-5-13-23(21)22/h4-13,16,19H,14-15,17H2,1-3H3,(H,26,29)
InChIKeyCUDIBXIIWPDTIY-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.24
Rot. Bonds7

About N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 132658805) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
PubChem CID132658805
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-18-8-6-9-20(16-18)17-27(19(2)25(29)26-3)24(28)15-14-22-12-7-11-21-10-4-5-13-23(21)22/h4-13,16,19H,14-15,17H2,1-3H3,(H,26,29)
InChIKeyCUDIBXIIWPDTIY-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100540105
N-cyclohexyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132613628
2-[3-(4-tert-butylphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132660024
(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
CID 100704329
(2S)-2-[(3-bromophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylpropanamide
CID 100645230
2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
CID 132669603
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132623446
(2S)-2-[(3-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100708153
N-butan-2-yl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]propanamide
CID 132708082
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
4-[benzenesulfonyl(methyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]butanamide
CID 132673614

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The IUPAC name of N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 132658805) is N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.
What is the SMILES notation for N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The canonical SMILES for N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The InChIKey is CUDIBXIIWPDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-8-6-9-20(16-18)17-27(19(2)25(29)26-3)24(28)15-14-22-12-7-11-21-10-4-5-13-23(21)22/h4-13,16,19H,14-15,17H2,1-3H3,(H,26,29).
What are the key properties of N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 388.51 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 132658805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).