N-(3-acetamidophenyl)-3,5-dimethoxybenzamide

C17H18N2O4 — CID 867559

IUPACN-(3-acetamidophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11(20)18-13-5-4-6-14(9-13)19-17(21)12-7-15(22-2)10-16(8-12)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyISYWSKDTMVQIRH-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.91
Rot. Bonds5

About N-(3-acetamidophenyl)-3,5-dimethoxybenzamide

N-(3-acetamidophenyl)-3,5-dimethoxybenzamide (PubChem CID 867559) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3,5-dimethoxybenzamide
PubChem CID867559
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3-acetamidophenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C17H18N2O4/c1-11(20)18-13-5-4-6-14(9-13)19-17(21)12-7-15(22-2)10-16(8-12)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyISYWSKDTMVQIRH-UHFFFAOYSA-N
XLogP2.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-acetamidophenyl)-3,5-dimethoxybenzamide (CID 867559) is N-(3-acetamidophenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3,5-dimethoxybenzamide?
The InChIKey is ISYWSKDTMVQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(20)18-13-5-4-6-14(9-13)19-17(21)12-7-15(22-2)10-16(8-12)23-3/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-3,5-dimethoxybenzamide?
N-(3-acetamidophenyl)-3,5-dimethoxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 867559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).