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

C23H30N2O4 — CID 171403724

IUPAC3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
SMILESOCCCN1COc2ccc(Cc3ccc4c(c3)CN(CCCO)CO4)cc2C1
InChIInChI=1S/C23H30N2O4/c26-9-1-7-24-14-20-12-18(3-5-22(20)28-16-24)11-19-4-6-23-21(13-19)15-25(17-29-23)8-2-10-27/h3-6,12-13,26-27H,1-2,7-11,14-17H2
InChIKeyOUOWUSAQOSMFFL-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.35
Rot. Bonds8

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

3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol (PubChem CID 171403724) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
PubChem CID171403724
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol
SMILESOCCCN1COc2ccc(Cc3ccc4c(c3)CN(CCCO)CO4)cc2C1
InChIInChI=1S/C23H30N2O4/c26-9-1-7-24-14-20-12-18(3-5-22(20)28-16-24)11-19-4-6-23-21(13-19)15-25(17-29-23)8-2-10-27/h3-6,12-13,26-27H,1-2,7-11,14-17H2
InChIKeyOUOWUSAQOSMFFL-UHFFFAOYSA-N
XLogP2.35
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-[6-[2-[3-[4-[[4-[6-[2-[3-(2-hydroxyethyl)-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol
CID 135193569
6-bromo-3-[8-(6-bromo-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-2,4-dihydro-1,3-benzoxazine
CID 139547089
2-[4-[6-[[3-[4-(carboxymethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]phenyl]acetic acid
CID 170039394
4-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)butan-1-amine
CID 139929910
3-[8-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-6-[3-[8-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 139547088
6-[(3-methylphenyl)methyl]-3-phenyl-2,4-dihydro-1,3-benzoxazine
CID 143809181
3,6-dimethyl-2,4-dihydro-1,3-benzoxazine;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-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethanol
CID 161164843
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
[3-(4-nitrophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methanol
CID 176902597
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 82163784
6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
CID 134384301
4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
CID 156689015

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The IUPAC name of 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol (CID 171403724) is 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The canonical SMILES for 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol is OCCCN1COc2ccc(Cc3ccc4c(c3)CN(CCCO)CO4)cc2C1.
What is the InChIKey of 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
The InChIKey is OUOWUSAQOSMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c26-9-1-7-24-14-20-12-18(3-5-22(20)28-16-24)11-19-4-6-23-21(13-19)15-25(17-29-23)8-2-10-27/h3-6,12-13,26-27H,1-2,7-11,14-17H2.
What are the key properties of 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol?
3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol has a molecular weight of 398.50 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-(3-hydroxypropyl)-2,4-dihydro-1,3-benzoxazin-6-yl]methyl]-2,4-dihydro-1,3-benzoxazin-3-yl]propan-1-ol is sourced from PubChem (CID 171403724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).