(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide

C21H26N2O3 — CID 8805401

IUPAC(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-14-9-10-20(26-5)18(11-14)13-23(4)15(2)21(25)22-19-8-6-7-17(12-19)16(3)24/h6-12,15H,13H2,1-5H3,(H,22,25)/t15-/m0/s1
InChIKeyLYXVPLWRZNMZPW-HNNXBMFYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds7

About (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide

(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide (PubChem CID 8805401) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
PubChem CID8805401
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(C)cc1CN(C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C21H26N2O3/c1-14-9-10-20(26-5)18(11-14)13-23(4)15(2)21(25)22-19-8-6-7-17(12-19)16(3)24/h6-12,15H,13H2,1-5H3,(H,22,25)/t15-/m0/s1
InChIKeyLYXVPLWRZNMZPW-HNNXBMFYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8550993
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanophenyl)propanamide
CID 17391982
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
N-(3-methylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 55543882
(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
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide (CID 8805401) is (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide is COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide?
The InChIKey is LYXVPLWRZNMZPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-9-10-20(26-5)18(11-14)13-23(4)15(2)21(25)22-19-8-6-7-17(12-19)16(3)24/h6-12,15H,13H2,1-5H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8805401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).