(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide

C22H24N2O — CID 54197832

IUPAC(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O/c1-16-7-9-17(10-8-16)15-24(2)22(25)21(23)14-18-11-12-19-5-3-4-6-20(19)13-18/h3-13,21H,14-15,23H2,1-2H3/t21-/m0/s1
InChIKeyPNCNMKJDFYIJHT-NRFANRHFSA-N
MW332.45 g/mol
LogP3.68
Rot. Bonds5

About (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide

(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide (PubChem CID 54197832) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
PubChem CID54197832
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
SMILESCc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O/c1-16-7-9-17(10-8-16)15-24(2)22(25)21(23)14-18-11-12-19-5-3-4-6-20(19)13-18/h3-13,21H,14-15,23H2,1-2H3/t21-/m0/s1
InChIKeyPNCNMKJDFYIJHT-NRFANRHFSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
CID 79013131
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-chlorobutanamide
CID 139707571
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
N-benzyl-3-hydroxy-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 4174039
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide;dihydrochloride
CID 119681900
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide (CID 54197832) is (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide is Cc1ccc(CN(C)C(=O)[C@@H](N)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide?
The InChIKey is PNCNMKJDFYIJHT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-7-9-17(10-8-16)15-24(2)22(25)21(23)14-18-11-12-19-5-3-4-6-20(19)13-18/h3-13,21H,14-15,23H2,1-2H3/t21-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide?
(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 54197832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).