2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide

C18H20N2O3 — CID 113161287

IUPAC2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2ccccc2)C(C)=O)c1
InChIInChI=1S/C18H20N2O3/c1-14(21)20(12-15-7-4-3-5-8-15)13-18(22)19-16-9-6-10-17(11-16)23-2/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyOCIYZUKRGAVCCM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds6

About 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide

2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 113161287) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID113161287
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2ccccc2)C(C)=O)c1
InChIInChI=1S/C18H20N2O3/c1-14(21)20(12-15-7-4-3-5-8-15)13-18(22)19-16-9-6-10-17(11-16)23-2/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyOCIYZUKRGAVCCM-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
N-(3-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 8689446
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide (CID 113161287) is 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(Cc2ccccc2)C(C)=O)c1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OCIYZUKRGAVCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14(21)20(12-15-7-4-3-5-8-15)13-18(22)19-16-9-6-10-17(11-16)23-2/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113161287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).