(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

C25H28N2O2 — CID 7611312

IUPAC(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C25H28N2O2/c1-16(2)24(25(29)26-21-13-17(3)12-18(4)14-21)27-23(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,16,24H,15H2,1-4H3,(H,26,29)(H,27,28)/t24-/m0/s1
InChIKeyMSKNOMAQSCOUSX-DEOSSOPVSA-N
MW388.51 g/mol
LogP4.78
Rot. Bonds6

About (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide

(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (PubChem CID 7611312) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
PubChem CID7611312
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
SMILESCc1cc(C)cc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1
InChIInChI=1S/C25H28N2O2/c1-16(2)24(25(29)26-21-13-17(3)12-18(4)14-21)27-23(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,16,24H,15H2,1-4H3,(H,26,29)(H,27,28)/t24-/m0/s1
InChIKeyMSKNOMAQSCOUSX-DEOSSOPVSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide with MolForge

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Related Compounds

(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
N-[(2S)-3-methyl-1-(2-methyl-2-phenylhydrazinyl)-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 9479838

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide (CID 7611312) is (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide is Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
The InChIKey is MSKNOMAQSCOUSX-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16(2)24(25(29)26-21-13-17(3)12-18(4)14-21)27-23(28)15-20-10-7-9-19-8-5-6-11-22(19)20/h5-14,16,24H,15H2,1-4H3,(H,26,29)(H,27,28)/t24-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide?
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide has a molecular weight of 388.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide is sourced from PubChem (CID 7611312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).