N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide

C18H18N2O4 — CID 110493154

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C18H18N2O4/c1-11(2)24-14-6-3-12(4-7-14)18(22)19-13-5-8-15-16(9-13)23-10-17(21)20-15/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQTWMMFOSBMBBJN-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.06
Rot. Bonds4

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide (PubChem CID 110493154) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
PubChem CID110493154
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C18H18N2O4/c1-11(2)24-14-6-3-12(4-7-14)18(22)19-13-5-8-15-16(9-13)23-10-17(21)20-15/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQTWMMFOSBMBBJN-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide (CID 110493154) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide?
The InChIKey is QTWMMFOSBMBBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(2)24-14-6-3-12(4-7-14)18(22)19-13-5-8-15-16(9-13)23-10-17(21)20-15/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide has a molecular weight of 326.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 110493154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).