4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C11H12N2O3 — CID 12948867

IUPAC4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-7(14)13-6-10(11(12)15)16-9-5-3-2-4-8(9)13/h2-5,10H,6H2,1H3,(H2,12,15)
InChIKeyNDDRQNPOOVHZLD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.29
Rot. Bonds1

About 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 12948867) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID12948867
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(N)=O)Oc2ccccc21
InChIInChI=1S/C11H12N2O3/c1-7(14)13-6-10(11(12)15)16-9-5-3-2-4-8(9)13/h2-5,10H,6H2,1H3,(H2,12,15)
InChIKeyNDDRQNPOOVHZLD-UHFFFAOYSA-N
XLogP0.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benoxacor
CID 62306
2-Hydroxy-1,4-benzoxazin-3-one
CID 322636
3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
o-Ethoxyacetanilide
CID 11383
6-amino-7-fluoro-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 11160323
2H-1,4-benzoxazin-3(4H)-one
CID 72757
AC-260584
CID 9928284
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Rwj-69736
CID 9866614
8-((6,6-dimethylhepta-2,4-diyn-1-yl)(methyl)amino)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 102008720
2H-1,4-Benzoxazin-3(4H)-one, 4-hydroxy-
CID 69865

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 12948867) is 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1CC(C(N)=O)Oc2ccccc21.
What is the InChIKey of 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is NDDRQNPOOVHZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)13-6-10(11(12)15)16-9-5-3-2-4-8(9)13/h2-5,10H,6H2,1H3,(H2,12,15).
What are the key properties of 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 12948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).