N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

C18H18N2O4 — CID 110701697

IUPACN-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C18H18N2O4/c1-20-15-5-3-4-14(17(15)24-11-16(20)21)18(22)19-10-12-6-8-13(23-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyZITQZPSBAWDFTK-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.98
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 110701697) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID110701697
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C18H18N2O4/c1-20-15-5-3-4-14(17(15)24-11-16(20)21)18(22)19-10-12-6-8-13(23-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyZITQZPSBAWDFTK-UHFFFAOYSA-N
XLogP1.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
3-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 103975255
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-[(3-methoxyphenyl)methyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53138957
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 110701697) is N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is COc1ccc(CNC(=O)c2cccc3c2OCC(=O)N3C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is ZITQZPSBAWDFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-20-15-5-3-4-14(17(15)24-11-16(20)21)18(22)19-10-12-6-8-13(23-2)9-7-12/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).