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

C17H16N2O3 — CID 3637200

IUPACN-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Oc2ccccc2NC1=O
InChIInChI=1S/C17H16N2O3/c1-17(15(20)18-11-12-7-3-2-4-8-12)16(21)19-13-9-5-6-10-14(13)22-17/h2-10H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyNUKOZFZUUFWWMA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.09
Rot. Bonds3

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

N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (PubChem CID 3637200) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
PubChem CID3637200
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)Oc2ccccc2NC1=O
InChIInChI=1S/C17H16N2O3/c1-17(15(20)18-11-12-7-3-2-4-8-12)16(21)19-13-9-5-6-10-14(13)22-17/h2-10H,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyNUKOZFZUUFWWMA-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.09
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-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (CID 3637200) is N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is CC1(C(=O)NCc2ccccc2)Oc2ccccc2NC1=O.
What is the InChIKey of N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
The InChIKey is NUKOZFZUUFWWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-17(15(20)18-11-12-7-3-2-4-8-12)16(21)19-13-9-5-6-10-14(13)22-17/h2-10H,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide?
N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 3637200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).