N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C14H18N2O4 — CID 79290683

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-14(2,19)8-16(3)13(18)9-4-5-10-11(6-9)20-7-12(17)15-10/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyGKNKEWMSQFYRDL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.86
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 79290683) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID79290683
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C14H18N2O4/c1-14(2,19)8-16(3)13(18)9-4-5-10-11(6-9)20-7-12(17)15-10/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyGKNKEWMSQFYRDL-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-7-carboxamide
CID 29373690
N-(1-benzothiophen-3-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 86990633
3-[methyl-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]propanoic acid
CID 60989417
N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 50966571
N-[3-(3-fluoropropanoylamino)-2-methylpropyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 167929632
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26960552
3-[ethyl-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoic acid
CID 61006659
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763786
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
7-(4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 3087782
N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 79290683) is N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CN(CC(C)(C)O)C(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is GKNKEWMSQFYRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,19)8-16(3)13(18)9-4-5-10-11(6-9)20-7-12(17)15-10/h4-6,19H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 79290683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).