N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide

C23H26N2O — CID 112811629

IUPACN-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
SMILESCc1ccccc1CNC(=O)C(C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-16-9-4-5-11-20(16)15-24-23(26)18(3)25-17(2)21-14-8-12-19-10-6-7-13-22(19)21/h4-14,17-18,25H,15H2,1-3H3,(H,24,26)
InChIKeyBWPDXNRBLOLFCN-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.50
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide

N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide (PubChem CID 112811629) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
PubChem CID112811629
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
SMILESCc1ccccc1CNC(=O)C(C)NC(C)c1cccc2ccccc12
InChIInChI=1S/C23H26N2O/c1-16-9-4-5-11-20(16)15-24-23(26)18(3)25-17(2)21-14-8-12-19-10-6-7-13-22(19)21/h4-14,17-18,25H,15H2,1-3H3,(H,24,26)
InChIKeyBWPDXNRBLOLFCN-UHFFFAOYSA-N
XLogP4.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40710619
N-methyl-N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811633
methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
CID 8695474
4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
CID 86976453
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
2-[2-(1-naphthalen-1-ylethylcarbamoyl)phenyl]ethylcarbamic acid
CID 170337732
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide (CID 112811629) is N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide is Cc1ccccc1CNC(=O)C(C)NC(C)c1cccc2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide?
The InChIKey is BWPDXNRBLOLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-16-9-4-5-11-20(16)15-24-23(26)18(3)25-17(2)21-14-8-12-19-10-6-7-13-22(19)21/h4-14,17-18,25H,15H2,1-3H3,(H,24,26).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide?
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide has a molecular weight of 346.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide is sourced from PubChem (CID 112811629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).