N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

C18H18N2O4 — CID 110683224

IUPACN-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)C(C)O3)cc1
InChIInChI=1S/C18H18N2O4/c1-11-18(22)20(2)15-10-12(4-9-16(15)24-11)17(21)19-13-5-7-14(23-3)8-6-13/h4-11H,1-3H3,(H,19,21)
InChIKeyKLHGHLNHUCZFOJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.69
Rot. Bonds3

About N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide

N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (PubChem CID 110683224) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
PubChem CID110683224
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)C(C)O3)cc1
InChIInChI=1S/C18H18N2O4/c1-11-18(22)20(2)15-10-12(4-9-16(15)24-11)17(21)19-13-5-7-14(23-3)8-6-13/h4-11H,1-3H3,(H,19,21)
InChIKeyKLHGHLNHUCZFOJ-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683173
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
CID 131945783
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
4-methoxy-N-[(2S)-4-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide
CID 93121347
2,4-dimethyl-6-[2-(propan-2-ylamino)propanoyl]-1,4-benzoxazin-3-one
CID 82100941
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
6-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
CID 44714874
N-[2-(2-fluorophenyl)ethyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683181

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide (CID 110683224) is N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)C(C)O3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
The InChIKey is KLHGHLNHUCZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-18(22)20(2)15-10-12(4-9-16(15)24-11)17(21)19-13-5-7-14(23-3)8-6-13/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide?
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide has a molecular weight of 326.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).