(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

C19H24N2O — CID 58241665

IUPAC(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCc1ccc(C[C@](C)(N[C@@H](C)c2ccccc2)C(N)=O)cc1
InChIInChI=1S/C19H24N2O/c1-14-9-11-16(12-10-14)13-19(3,18(20)22)21-15(2)17-7-5-4-6-8-17/h4-12,15,21H,13H2,1-3H3,(H2,20,22)/t15-,19-/m0/s1
InChIKeyGKNSUBZMNSJTBX-KXBFYZLASA-N
MW296.41 g/mol
LogP3.13
Rot. Bonds6

About (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (PubChem CID 58241665) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
PubChem CID58241665
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCc1ccc(C[C@](C)(N[C@@H](C)c2ccccc2)C(N)=O)cc1
InChIInChI=1S/C19H24N2O/c1-14-9-11-16(12-10-14)13-19(3,18(20)22)21-15(2)17-7-5-4-6-8-17/h4-12,15,21H,13H2,1-3H3,(H2,20,22)/t15-,19-/m0/s1
InChIKeyGKNSUBZMNSJTBX-KXBFYZLASA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-methyl-3-(4-methylphenyl)propanamide;N-benzylformamide;(2S)-2-[[(S)-formamido(phenyl)methyl]amino]-2-methyl-3-(4-methylphenyl)propanamide
CID 158596776
2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanenitrile
CID 58241667
(2R)-2-formamido-2-methyl-3-phenylpropanamide
CID 149178833
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
1-(4-methylphenyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111803955
2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
2-hydrazinyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 82129570
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (CID 58241665) is (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is Cc1ccc(C[C@](C)(N[C@@H](C)c2ccccc2)C(N)=O)cc1.
What is the InChIKey of (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The InChIKey is GKNSUBZMNSJTBX-KXBFYZLASA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-9-11-16(12-10-14)13-19(3,18(20)22)21-15(2)17-7-5-4-6-8-17/h4-12,15,21H,13H2,1-3H3,(H2,20,22)/t15-,19-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
(2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide has a molecular weight of 296.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(4-methylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 58241665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).