N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide

C18H16N2O3 — CID 57094698

IUPACN-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2c(=O)o1)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)11-16(21)20-18-19-15-10-6-5-9-14(15)17(22)23-18/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyLLXADPZAOPJJRR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.32
Rot. Bonds4

About N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide

N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide (PubChem CID 57094698) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide
PubChem CID57094698
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide
SMILESCC(CC(=O)Nc1nc2ccccc2c(=O)o1)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)11-16(21)20-18-19-15-10-6-5-9-14(15)17(22)23-18/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyLLXADPZAOPJJRR-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide?
The IUPAC name of N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide (CID 57094698) is N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide.
What is the SMILES notation for N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide?
The canonical SMILES for N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide is CC(CC(=O)Nc1nc2ccccc2c(=O)o1)c1ccccc1.
What is the InChIKey of N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide?
The InChIKey is LLXADPZAOPJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(13-7-3-2-4-8-13)11-16(21)20-18-19-15-10-6-5-9-14(15)17(22)23-18/h2-10,12H,11H2,1H3,(H,19,20,21).
What are the key properties of N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide?
N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide has a molecular weight of 308.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3,1-benzoxazin-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 57094698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).