2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol

C23H30N2O4 — CID 58045730

IUPAC2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol
SMILESCC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCO)CO2
InChIInChI=1S/C23H30N2O4/c1-23(2,19-3-5-21-17(11-19)13-24(7-9-26)15-28-21)20-4-6-22-18(12-20)14-25(8-10-27)16-29-22/h3-6,11-12,26-27H,7-10,13-16H2,1-2H3
InChIKeyLTVJOVCZZXWZTL-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.30
Rot. Bonds6

About 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol

2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol (PubChem CID 58045730) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol
PubChem CID58045730
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol
SMILESCC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCO)CO2
InChIInChI=1S/C23H30N2O4/c1-23(2,19-3-5-21-17(11-19)13-24(7-9-26)15-28-21)20-4-6-22-18(12-20)14-25(8-10-27)16-29-22/h3-6,11-12,26-27H,7-10,13-16H2,1-2H3
InChIKeyLTVJOVCZZXWZTL-UHFFFAOYSA-N
XLogP2.30
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol?
The IUPAC name of 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol (CID 58045730) is 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol.
What is the SMILES notation for 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol?
The canonical SMILES for 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol is CC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCO)CO2.
What is the InChIKey of 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol?
The InChIKey is LTVJOVCZZXWZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-23(2,19-3-5-21-17(11-19)13-24(7-9-26)15-28-21)20-4-6-22-18(12-20)14-25(8-10-27)16-29-22/h3-6,11-12,26-27H,7-10,13-16H2,1-2H3.
What are the key properties of 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol?
2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol has a molecular weight of 398.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol is sourced from PubChem (CID 58045730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).