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

C14H20N2O4 — CID 82216223

IUPAC6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN(CCO)CC(O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H20N2O4/c1-15(5-6-17)8-12(18)10-3-4-13-11(7-10)16(2)14(19)9-20-13/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3
InChIKeyNDAJCUUGONHRSI-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.00
Rot. Bonds5

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

6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82216223) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID82216223
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCN(CCO)CC(O)c1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C14H20N2O4/c1-15(5-6-17)8-12(18)10-3-4-13-11(7-10)16(2)14(19)9-20-13/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3
InChIKeyNDAJCUUGONHRSI-UHFFFAOYSA-N
XLogP-0.00
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[ethyl(2-hydroxyethyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
CID 110830595
6-[3-[bis(prop-2-enyl)amino]-1-hydroxypropyl]-4-methyl-1,4-benzoxazin-3-one
CID 110830665
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
6-[dimethylamino(sulfanyl)methyl]-4-methyl-1,4-benzoxazin-3-one
CID 116909435
ethyl 2-hydroxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 117416741
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
6-(1,4-diamino-2-methylbutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116934050
methyl 2-amino-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 116856936
6-[1,2-bis(methylamino)ethyl]-4-methyl-1,4-benzoxazin-3-one
CID 116947950
methyl 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanoate
CID 116964415

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one (CID 82216223) is 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one is CN(CCO)CC(O)c1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is NDAJCUUGONHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15(5-6-17)8-12(18)10-3-4-13-11(7-10)16(2)14(19)9-20-13/h3-4,7,12,17-18H,5-6,8-9H2,1-2H3.
What are the key properties of 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one?
6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 280.32 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82216223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).