(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide

C22H28N2O4 — CID 8550993

IUPAC(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
SMILESCOc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14-10-20(27-5)21(28-6)12-18(14)13-24(4)15(2)22(26)23-19-9-7-8-17(11-19)16(3)25/h7-12,15H,13H2,1-6H3,(H,23,26)/t15-/m0/s1
InChIKeyAOBGKMNSTFACMG-HNNXBMFYSA-N
MW384.48 g/mol
LogP3.67
Rot. Bonds8

About (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide

(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide (PubChem CID 8550993) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
PubChem CID8550993
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
SMILESCOc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-14-10-20(27-5)21(28-6)12-18(14)13-24(4)15(2)22(26)23-19-9-7-8-17(11-19)16(3)25/h7-12,15H,13H2,1-6H3,(H,23,26)/t15-/m0/s1
InChIKeyAOBGKMNSTFACMG-HNNXBMFYSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544
(2S)-N-(3-chloro-4-cyanophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 9460940
(2R)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9460877
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
(2R)-N-cyclopropyl-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8680316
N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768011
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
N-(3-acetylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 55351492
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide (CID 8550993) is (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide is COc1cc(C)c(CN(C)[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide?
The InChIKey is AOBGKMNSTFACMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-10-20(27-5)21(28-6)12-18(14)13-24(4)15(2)22(26)23-19-9-7-8-17(11-19)16(3)25/h7-12,15H,13H2,1-6H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8550993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).