(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide

C21H26N2O2 — CID 9045544

IUPAC(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O2/c1-14-9-10-19(15(2)11-14)13-23(5)16(3)21(25)22-20-8-6-7-18(12-20)17(4)24/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1
InChIKeyRFDZROCYAKFPPZ-INIZCTEOSA-N
MW338.45 g/mol
LogP3.97
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide

(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide (PubChem CID 9045544) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
PubChem CID9045544
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C21H26N2O2/c1-14-9-10-19(15(2)11-14)13-23(5)16(3)21(25)22-20-8-6-7-18(12-20)17(4)24/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1
InChIKeyRFDZROCYAKFPPZ-INIZCTEOSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
CID 8805401
(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8550993
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
N-(3,4-difluorophenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 46563659
N-(3-acetylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 55351492
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045922
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide (CID 9045544) is (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(C)cc2C)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide?
The InChIKey is RFDZROCYAKFPPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-9-10-19(15(2)11-14)13-23(5)16(3)21(25)22-20-8-6-7-18(12-20)17(4)24/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9045544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).