3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide

C19H28N2O4 — CID 3237158

IUPAC3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2
InChIInChI=1S/C19H28N2O4/c1-13(2)24-11-5-9-20-18(22)8-10-21-16-12-14(3)6-7-17(16)25-15(4)19(21)23/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyYTVAHKXWZFSUCL-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.43
Rot. Bonds8

About 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide

3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 3237158) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID3237158
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2
InChIInChI=1S/C19H28N2O4/c1-13(2)24-11-5-9-20-18(22)8-10-21-16-12-14(3)6-7-17(16)25-15(4)19(21)23/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,20,22)
InChIKeyYTVAHKXWZFSUCL-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.43
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-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide (CID 3237158) is 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide is Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2.
What is the InChIKey of 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is YTVAHKXWZFSUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)24-11-5-9-20-18(22)8-10-21-16-12-14(3)6-7-17(16)25-15(4)19(21)23/h6-7,12-13,15H,5,8-11H2,1-4H3,(H,20,22).
What are the key properties of 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide?
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 348.44 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 3237158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).