N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide

C21H26N2O4 — CID 24589003

IUPACN-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-6-8-18(9-7-17)22-21(25)11-12-23(2)14-16-5-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyVYKZEIQOCKVMNV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.37
Rot. Bonds9

About N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide

N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide (PubChem CID 24589003) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
PubChem CID24589003
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-6-8-18(9-7-17)22-21(25)11-12-23(2)14-16-5-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyVYKZEIQOCKVMNV-UHFFFAOYSA-N
XLogP3.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
ethyl 4-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9100437
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-cyanophenyl)propanamide
CID 113122110
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
CID 55482218
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113122084
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide (CID 24589003) is N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is VYKZEIQOCKVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(24)17-6-8-18(9-7-17)22-21(25)11-12-23(2)14-16-5-10-19(26-3)20(13-16)27-4/h5-10,13H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide?
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24589003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).