N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

C12H14N2O3 — CID 56686360

IUPACN-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCNC(=O)C1(C)Oc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O3/c1-3-13-10(15)12(2)11(16)14-8-6-4-5-7-9(8)17-12/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPSRFCXZTXJODEI-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.91
Rot. Bonds2

About N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 56686360) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID56686360
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCCNC(=O)C1(C)Oc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O3/c1-3-13-10(15)12(2)11(16)14-8-6-4-5-7-9(8)17-12/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyPSRFCXZTXJODEI-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 56686360) is N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CCNC(=O)C1(C)Oc2ccccc2NC1=O.
What is the InChIKey of N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is PSRFCXZTXJODEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-13-10(15)12(2)11(16)14-8-6-4-5-7-9(8)17-12/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 56686360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).