3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide

C17H24N2O4 — CID 3243856

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C17H24N2O4/c1-13(2)22-11-5-9-18-16(20)8-10-19-14-6-3-4-7-15(14)23-12-17(19)21/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,18,20)
InChIKeyCYOFPTBBEZRXHE-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.73
Rot. Bonds8

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 3243856) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID3243856
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C17H24N2O4/c1-13(2)22-11-5-9-18-16(20)8-10-19-14-6-3-4-7-15(14)23-12-17(19)21/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,18,20)
InChIKeyCYOFPTBBEZRXHE-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 3243856) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is CYOFPTBBEZRXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(2)22-11-5-9-18-16(20)8-10-19-14-6-3-4-7-15(14)23-12-17(19)21/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 320.39 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 3243856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).