2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C18H18N2O3 — CID 110683036

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKJHFQJWZLUSQGA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.64
Rot. Bonds3

About 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110683036) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110683036
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)O3)c1
InChIInChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyKJHFQJWZLUSQGA-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 110683036) is 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C(C)O3)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is KJHFQJWZLUSQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-3-5-13(8-11)10-19-18(22)14-6-7-16-15(9-14)20-17(21)12(2)23-16/h3-9,12H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).