(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide

C20H24N2O2 — CID 9038834

IUPAC(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-7-8-15(3)12-17)22-18(23)13-16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23)/t19-/m0/s1
InChIKeyCHLMCZITSOPUJU-IBGZPJMESA-N
MW324.42 g/mol
LogP3.32
Rot. Bonds6

About (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide

(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 9038834) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID9038834
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-7-8-15(3)12-17)22-18(23)13-16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23)/t19-/m0/s1
InChIKeyCHLMCZITSOPUJU-IBGZPJMESA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874773
methyl 3-[2-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]ethynyl]benzoate
CID 55549663
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide (CID 9038834) is (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide is Cc1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1.
What is the InChIKey of (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is CHLMCZITSOPUJU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)19(20(24)21-17-11-7-8-15(3)12-17)22-18(23)13-16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,21,24)(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide?
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 324.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 9038834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).