2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide

C17H16N2O4 — CID 110729632

IUPAC2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)cc2c1OCC(=O)N2
InChIInChI=1S/C17H16N2O4/c1-10-7-12-16(23-9-15(20)18-12)13(8-10)19-17(21)11-5-3-4-6-14(11)22-2/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUIPPLQHYNLRNEZ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.59
Rot. Bonds3

About 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide

2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide (PubChem CID 110729632) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
PubChem CID110729632
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C)cc2c1OCC(=O)N2
InChIInChI=1S/C17H16N2O4/c1-10-7-12-16(23-9-15(20)18-12)13(8-10)19-17(21)11-5-3-4-6-14(11)22-2/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUIPPLQHYNLRNEZ-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzoxazin-8-yl]cyclopropane-1-carboxamide
CID 96527899
6-[2-(2-methoxyphenyl)ethenyl]-8-methyl-4H-1,4-benzoxazin-3-one
CID 68978531
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The IUPAC name of 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide (CID 110729632) is 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide is COc1ccccc1C(=O)Nc1cc(C)cc2c1OCC(=O)N2.
What is the InChIKey of 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
The InChIKey is UIPPLQHYNLRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-7-12-16(23-9-15(20)18-12)13(8-10)19-17(21)11-5-3-4-6-14(11)22-2/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide?
2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide has a molecular weight of 312.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide is sourced from PubChem (CID 110729632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).