N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide

C17H17NO3 — CID 70366447

IUPACN-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(C)=O)c1CNC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(19)14-9-6-10-16(21-2)15(14)11-18-17(20)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYKNKISTZIAYIFB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds5

About N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide

N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide (PubChem CID 70366447) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
PubChem CID70366447
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[(2-acetyl-6-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(C(C)=O)c1CNC(=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-12(19)14-9-6-10-16(21-2)15(14)11-18-17(20)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYKNKISTZIAYIFB-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(2,6-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)benzamide
CID 173203978
2-[(2,6-dimethoxyphenyl)methylamino]-2-oxoacetic acid
CID 172819588
3-acetyl-N-[(2-methoxyphenyl)methyl]-2-phenoxybenzamide
CID 174408335
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987

Frequently Asked Questions

What is the IUPAC name of N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide (CID 70366447) is N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide is COc1cccc(C(C)=O)c1CNC(=O)c1ccccc1.
What is the InChIKey of N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide?
The InChIKey is YKNKISTZIAYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12(19)14-9-6-10-16(21-2)15(14)11-18-17(20)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide?
N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetyl-6-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 70366447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).