N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide

C17H19N3O3 — CID 110451636

IUPACN-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c(N)c1
InChIInChI=1S/C17H19N3O3/c1-10-4-5-12(19-11(2)21)8-16(10)20-17(22)14-7-6-13(23-3)9-15(14)18/h4-9H,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFRAASAACJZUXNG-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.80
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide

N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide (PubChem CID 110451636) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide
PubChem CID110451636
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c(N)c1
InChIInChI=1S/C17H19N3O3/c1-10-4-5-12(19-11(2)21)8-16(10)20-17(22)14-7-6-13(23-3)9-15(14)18/h4-9H,18H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFRAASAACJZUXNG-UHFFFAOYSA-N
XLogP2.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.80
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

N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
2-amino-N-(2,5-dibromophenyl)-4-methoxybenzamide
CID 115412703
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
CID 3286740
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
2-amino-N-[2-(hydroxymethyl)phenyl]-4-methoxybenzamide
CID 115412681

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide (CID 110451636) is N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2C)c(N)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide?
The InChIKey is FRAASAACJZUXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-4-5-12(19-11(2)21)8-16(10)20-17(22)14-7-6-13(23-3)9-15(14)18/h4-9H,18H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide?
N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide has a molecular weight of 313.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-amino-4-methoxybenzamide is sourced from PubChem (CID 110451636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).