4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide

C13H16N2O3 — CID 110701662

IUPAC4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OCC(=O)N2C
InChIInChI=1S/C13H16N2O3/c1-8(2)14-13(17)9-5-4-6-10-12(9)18-7-11(16)15(10)3/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeySFVKAVBPNHNLQC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds2

About 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide

4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide (PubChem CID 110701662) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
PubChem CID110701662
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OCC(=O)N2C
InChIInChI=1S/C13H16N2O3/c1-8(2)14-13(17)9-5-4-6-10-12(9)18-7-11(16)15(10)3/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeySFVKAVBPNHNLQC-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701762
N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701697
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide (CID 110701662) is 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide is CC(C)NC(=O)c1cccc2c1OCC(=O)N2C.
What is the InChIKey of 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide?
The InChIKey is SFVKAVBPNHNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)14-13(17)9-5-4-6-10-12(9)18-7-11(16)15(10)3/h4-6,8H,7H2,1-3H3,(H,14,17).
What are the key properties of 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide?
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).