2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide

C20H24N2O5 — CID 113163149

IUPAC2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O5/c1-14(23)22(12-15-5-8-17(25-2)9-6-15)13-20(24)21-16-7-10-18(26-3)19(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyIRRZDLTWBUDRAO-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.70
Rot. Bonds8

About 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113163149) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113163149
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)=O)cc1
InChIInChI=1S/C20H24N2O5/c1-14(23)22(12-15-5-8-17(25-2)9-6-15)13-20(24)21-16-7-10-18(26-3)19(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,21,24)
InChIKeyIRRZDLTWBUDRAO-UHFFFAOYSA-N
XLogP2.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 113163104
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113163169
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113161867
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethylphenyl)propanamide
CID 113119942

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 113163149) is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CN(CC(=O)Nc2ccc(OC)c(OC)c2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IRRZDLTWBUDRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-14(23)22(12-15-5-8-17(25-2)9-6-15)13-20(24)21-16-7-10-18(26-3)19(11-16)27-4/h5-11H,12-13H2,1-4H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113163149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).