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

C24H32N2O4 — CID 118055920

IUPAC3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
SMILESCC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCCO)CO2
InChIInChI=1S/C24H32N2O4/c1-24(2,21-5-7-23-19(13-21)15-26(9-11-28)17-30-23)20-4-6-22-18(12-20)14-25(16-29-22)8-3-10-27/h4-7,12-13,27-28H,3,8-11,14-17H2,1-2H3
InChIKeyMJRGIRDFOSETNV-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.69
Rot. Bonds7

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

3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol (PubChem CID 118055920) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
PubChem CID118055920
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
SMILESCC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCCO)CO2
InChIInChI=1S/C24H32N2O4/c1-24(2,21-5-7-23-19(13-21)15-26(9-11-28)17-30-23)20-4-6-22-18(12-20)14-25(16-29-22)8-3-10-27/h4-7,12-13,27-28H,3,8-11,14-17H2,1-2H3
InChIKeyMJRGIRDFOSETNV-UHFFFAOYSA-N
XLogP2.69
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol (CID 118055920) is 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol is CC(C)(c1ccc2c(c1)CN(CCO)CO2)c1ccc2c(c1)CN(CCCO)CO2.
What is the InChIKey of 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The InChIKey is MJRGIRDFOSETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-24(2,21-5-7-23-19(13-21)15-26(9-11-28)17-30-23)20-4-6-22-18(12-20)14-25(16-29-22)8-3-10-27/h4-7,12-13,27-28H,3,8-11,14-17H2,1-2H3.
What are the key properties of 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol has a molecular weight of 412.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol is sourced from PubChem (CID 118055920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).