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

C14H20N2O4 — CID 82216264

IUPAC6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
SMILESCCN(CCO)CC(O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H20N2O4/c1-2-16(5-6-17)8-12(18)10-3-4-13-11(7-10)15-14(19)9-20-13/h3-4,7,12,17-18H,2,5-6,8-9H2,1H3,(H,15,19)
InChIKeyMROATMSWCFQOPM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.37
Rot. Bonds6

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

6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 82216264) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
PubChem CID82216264
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
SMILESCCN(CCO)CC(O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C14H20N2O4/c1-2-16(5-6-17)8-12(18)10-3-4-13-11(7-10)15-14(19)9-20-13/h3-4,7,12,17-18H,2,5-6,8-9H2,1H3,(H,15,19)
InChIKeyMROATMSWCFQOPM-UHFFFAOYSA-N
XLogP0.37
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 94954558
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-(1-hydroxy-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 82216259
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510
6-[2-(diethylamino)-1-hydroxyethyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 82216201
6-[(5-ethylfuran-2-yl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 79096366
6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 82216271
6-(1-chloro-3-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085016
6-[(3,5-dichlorophenyl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 61082606
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852

Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one (CID 82216264) is 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one is CCN(CCO)CC(O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MROATMSWCFQOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-16(5-6-17)8-12(18)10-3-4-13-11(7-10)15-14(19)9-20-13/h3-4,7,12,17-18H,2,5-6,8-9H2,1H3,(H,15,19).
What are the key properties of 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 280.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(2-hydroxyethyl)amino]-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82216264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).