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

C12H14N2O3 — CID 110701488

IUPAC3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7(2)13-12(16)8-4-3-5-9-11(8)17-6-10(15)14-9/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyJBIQLJKARMXLLK-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.16
Rot. Bonds2

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

3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701488) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701488
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C12H14N2O3/c1-7(2)13-12(16)8-4-3-5-9-11(8)17-6-10(15)14-9/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyJBIQLJKARMXLLK-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 166180863
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
CID 117346035
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701653
4-[[(3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]methyl]benzoic acid
CID 119353511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide (CID 110701488) is 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide is CC(C)NC(=O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is JBIQLJKARMXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(2)13-12(16)8-4-3-5-9-11(8)17-6-10(15)14-9/h3-5,7H,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide?
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).