N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C17H16N2O4 — CID 110699663

IUPACN-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C17H16N2O4/c1-22-13-7-3-2-5-11(13)9-18-17(21)12-6-4-8-14-16(12)19-15(20)10-23-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyGOCMMMBZAWMQFJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.96
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 110699663) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID110699663
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C17H16N2O4/c1-22-13-7-3-2-5-11(13)9-18-17(21)12-6-4-8-14-16(12)19-15(20)10-23-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyGOCMMMBZAWMQFJ-UHFFFAOYSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699743
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 30154625
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
2-benzamido-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404635
N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576
N-[(2-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 18081414
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 110699663) is N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide is COc1ccccc1CNC(=O)c1cccc2c1NC(=O)CO2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is GOCMMMBZAWMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-13-7-3-2-5-11(13)9-18-17(21)12-6-4-8-14-16(12)19-15(20)10-23-14/h2-8H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 110699663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).