2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide

C19H20N2O4 — CID 110682855

IUPAC2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIInChI=1S/C19H20N2O4/c1-11(2)24-16-7-5-4-6-14(16)21-19(23)13-8-9-15-17(10-13)25-12(3)18(22)20-15/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGLAYMIMISZDPOW-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.45
Rot. Bonds4

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

2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 110682855) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide
PubChem CID110682855
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OC(C)C(=O)N2
InChIInChI=1S/C19H20N2O4/c1-11(2)24-16-7-5-4-6-14(16)21-19(23)13-8-9-15-17(10-13)25-12(3)18(22)20-15/h4-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGLAYMIMISZDPOW-UHFFFAOYSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
N-(2-cyanophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682883
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 38999351
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide (CID 110682855) is 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide is CC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OC(C)C(=O)N2.
What is the InChIKey of 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is GLAYMIMISZDPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11(2)24-16-7-5-4-6-14(16)21-19(23)13-8-9-15-17(10-13)25-12(3)18(22)20-15/h4-12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide?
2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2-propan-2-yloxyphenyl)-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).