(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide

C18H22N2O — CID 8516653

IUPAC(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
SMILESCc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N2O/c1-14-9-7-8-10-16(14)13-20(3)15(2)18(21)19-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyJVTJLXJYNFCNFJ-HNNXBMFYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds5

About (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide

(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide (PubChem CID 8516653) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
PubChem CID8516653
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
SMILESCc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C18H22N2O/c1-14-9-7-8-10-16(14)13-20(3)15(2)18(21)19-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyJVTJLXJYNFCNFJ-HNNXBMFYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
(2R)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516621
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
N-cyclopropyl-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 71944218
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8963893
N-(tert-butylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 51243139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide (CID 8516653) is (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide is Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide?
The InChIKey is JVTJLXJYNFCNFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-9-7-8-10-16(14)13-20(3)15(2)18(21)19-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide?
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 8516653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).