6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one

C16H24N2O4 — CID 110830595

IUPAC6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCCN(CCO)CCC(O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C16H24N2O4/c1-3-18(8-9-19)7-6-14(20)12-4-5-15-13(10-12)17(2)16(21)11-22-15/h4-5,10,14,19-20H,3,6-9,11H2,1-2H3
InChIKeyZTILXUVCRZOQRE-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.78
Rot. Bonds7

About 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one

6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 110830595) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID110830595
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCCN(CCO)CCC(O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C16H24N2O4/c1-3-18(8-9-19)7-6-14(20)12-4-5-15-13(10-12)17(2)16(21)11-22-15/h4-5,10,14,19-20H,3,6-9,11H2,1-2H3
InChIKeyZTILXUVCRZOQRE-UHFFFAOYSA-N
XLogP0.78
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[bis(prop-2-enyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
CID 110830665
6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 82216223
ethyl 2-hydroxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 117416741
6-(2-amino-1-hydroxy-2-methylpropyl)-4-methyl-1,4-benzoxazin-3-one
CID 116836099
6-(1-amino-2-hydroxypropyl)-4-methyl-1,4-benzoxazin-3-one
CID 116859583
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanoic acid
CID 82496514
6-(1,2-diaminoethyl)-4-methyl-1,4-benzoxazin-3-one
CID 116855498
methyl 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanoate
CID 116964415
4-methyl-6-[1-(methylamino)butan-2-yl]-1,4-benzoxazin-3-one
CID 116964717
7-[1-hydroxy-3-(methylamino)propyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501430
6-[dimethylamino(sulfanyl)methyl]-4-methyl-1,4-benzoxazin-3-one
CID 116909435
1-(1,3-benzodioxol-5-yl)-3-(diethylamino)propan-1-ol
CID 13284319

Frequently Asked Questions

What is the IUPAC name of 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one (CID 110830595) is 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one is CCN(CCO)CCC(O)c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is ZTILXUVCRZOQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-18(8-9-19)7-6-14(20)12-4-5-15-13(10-12)17(2)16(21)11-22-15/h4-5,10,14,19-20H,3,6-9,11H2,1-2H3.
What are the key properties of 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one?
6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 308.38 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 110830595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).