N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C14H16N2O3 — CID 3224963

IUPACN-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H16N2O3/c1-9-14(18)16(8-13(17)15-10-6-7-10)11-4-2-3-5-12(11)19-9/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyZEOXOKLRCZFDME-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.08
Rot. Bonds3

About N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224963) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224963
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)NC2CC2)C1=O
InChIInChI=1S/C14H16N2O3/c1-9-14(18)16(8-13(17)15-10-6-7-10)11-4-2-3-5-12(11)19-9/h2-5,9-10H,6-8H2,1H3,(H,15,17)
InChIKeyZEOXOKLRCZFDME-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3224963) is N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)NC2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ZEOXOKLRCZFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-14(18)16(8-13(17)15-10-6-7-10)11-4-2-3-5-12(11)19-9/h2-5,9-10H,6-8H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).