2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide

C18H18N2O3 — CID 110682955

IUPAC2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1
InChIInChI=1S/C18H18N2O3/c1-11-5-4-6-14(9-11)19-17(21)13-7-8-15-16(10-13)23-12(2)18(22)20(15)3/h4-10,12H,1-3H3,(H,19,21)
InChIKeyRZLAAEDRXULJAE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.99
Rot. Bonds2

About 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide

2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 110682955) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID110682955
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1
InChIInChI=1S/C18H18N2O3/c1-11-5-4-6-14(9-11)19-17(21)13-7-8-15-16(10-13)23-12(2)18(22)20(15)3/h4-10,12H,1-3H3,(H,19,21)
InChIKeyRZLAAEDRXULJAE-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682965
2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683008
2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 116995057
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683000
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3H-benzimidazole-5-carboxamide
CID 110793039
2,4-dimethyl-7-(2-phenylprop-2-enoyl)-1,4-benzoxazin-3-one
CID 3077708
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
N-(3-methylphenyl)-6-oxopyran-3-carboxamide
CID 110697514
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-methoxy-3-prop-2-enylbenzamide
CID 131945783

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide (CID 110682955) is 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is RZLAAEDRXULJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-5-4-6-14(9-11)19-17(21)13-7-8-15-16(10-13)23-12(2)18(22)20(15)3/h4-10,12H,1-3H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide?
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).