N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide

C16H17N3O3 — CID 82546305

IUPACN-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(N)c1
InChIInChI=1S/C16H17N3O3/c1-10(20)18-11-4-3-5-12(8-11)19-16(21)14-7-6-13(22-2)9-15(14)17/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKWYDVAKNAFASBK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.49
Rot. Bonds4

About N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide

N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide (PubChem CID 82546305) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
PubChem CID82546305
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(N)c1
InChIInChI=1S/C16H17N3O3/c1-10(20)18-11-4-3-5-12(8-11)19-16(21)14-7-6-13(22-2)9-15(14)17/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKWYDVAKNAFASBK-UHFFFAOYSA-N
XLogP2.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide
CID 110451636
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
CID 68975139
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide?
The IUPAC name of N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide (CID 82546305) is N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)c(N)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide?
The InChIKey is KWYDVAKNAFASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(20)18-11-4-3-5-12(8-11)19-16(21)14-7-6-13(22-2)9-15(14)17/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide?
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide is sourced from PubChem (CID 82546305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).