N-(3-acetylphenyl)-3,4-dimethoxybenzamide

C17H17NO4 — CID 2171051

IUPACN-(3-acetylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVCNDIQAPSXXUTG-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.16
Rot. Bonds5

About N-(3-acetylphenyl)-3,4-dimethoxybenzamide

N-(3-acetylphenyl)-3,4-dimethoxybenzamide (PubChem CID 2171051) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3,4-dimethoxybenzamide
PubChem CID2171051
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(3-acetylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVCNDIQAPSXXUTG-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-acetylphenyl)-3,4-dimethoxybenzamide (CID 2171051) is N-(3-acetylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-acetylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is VCNDIQAPSXXUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)12-5-4-6-14(9-12)18-17(20)13-7-8-15(21-2)16(10-13)22-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-3,4-dimethoxybenzamide?
N-(3-acetylphenyl)-3,4-dimethoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 2171051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).