2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide

C19H22N2O3 — CID 113163044

IUPAC2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21(13-17-8-10-18(24-2)11-9-17)14-19(23)20-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyYRRFWFPNTLXGAD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.36
Rot. Bonds7

About 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide (PubChem CID 113163044) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
PubChem CID113163044
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21(13-17-8-10-18(24-2)11-9-17)14-19(23)20-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23)
InChIKeyYRRFWFPNTLXGAD-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113163228
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204818
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 113163139
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
N-(4-acetamidophenyl)-2-[acetyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 113163156
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide?
The IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide (CID 113163044) is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide.
What is the SMILES notation for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide?
The canonical SMILES for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide is COc1ccc(CN(CC(=O)NCc2ccccc2)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide?
The InChIKey is YRRFWFPNTLXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(22)21(13-17-8-10-18(24-2)11-9-17)14-19(23)20-12-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide?
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide is sourced from PubChem (CID 113163044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).