2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

C22H28N2O3 — CID 132655175

IUPAC2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-15-6-7-19(12-16(15)2)13-21(25)24(17(3)22(26)23-4)14-18-8-10-20(27-5)11-9-18/h6-12,17H,13-14H2,1-5H3,(H,23,26)
InChIKeyFVAWOMGYEBQLOU-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.02
Rot. Bonds7

About 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (PubChem CID 132655175) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
PubChem CID132655175
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O3/c1-15-6-7-19(12-16(15)2)13-21(25)24(17(3)22(26)23-4)14-18-8-10-20(27-5)11-9-18/h6-12,17H,13-14H2,1-5H3,(H,23,26)
InChIKeyFVAWOMGYEBQLOU-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719209
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132657470
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132707152
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313
2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132654013
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 133213482
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 133213388
2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657637
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521090
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667543

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (CID 132655175) is 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is FVAWOMGYEBQLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-6-7-19(12-16(15)2)13-21(25)24(17(3)22(26)23-4)14-18-8-10-20(27-5)11-9-18/h6-12,17H,13-14H2,1-5H3,(H,23,26).
What are the key properties of 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).