1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine

C24H30N2O3 — CID 57439391

IUPAC1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
SMILESc1cc2c(cc1OCCCN1CCC1)oc1ccc(OCCCN3CCC3)cc12
InChIInChI=1S/C24H30N2O3/c1-9-25(10-1)13-3-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-4-14-26-11-2-12-26/h5-8,17-18H,1-4,9-16H2
InChIKeyRTUCEGLTQCMXCA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.54
Rot. Bonds10

About 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine

1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine (PubChem CID 57439391) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine.

Molecular Properties

Compound Name1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
PubChem CID57439391
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
SMILESc1cc2c(cc1OCCCN1CCC1)oc1ccc(OCCCN3CCC3)cc12
InChIInChI=1S/C24H30N2O3/c1-9-25(10-1)13-3-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-4-14-26-11-2-12-26/h5-8,17-18H,1-4,9-16H2
InChIKeyRTUCEGLTQCMXCA-UHFFFAOYSA-N
XLogP4.54
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
6-chloro-2-(6-piperidin-1-ylhexoxy)xanthen-9-one
CID 162675540
3-(3-piperazin-1-ylpropoxy)xanthen-9-one
CID 52915988
1-[3-[7-(3-pyrrolidin-1-ylpropoxy)dibenzothiophen-2-yl]oxypropyl]pyrrolidine
CID 67163765
6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
CID 14983050
3-[3-(4-benzylpiperazin-1-yl)propoxy]benzo[c]chromen-6-one;dihydrochloride
CID 90357517
2,6-bis[3-(azetidin-1-yl)propoxy]thioxanthen-9-one
CID 57439620
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
2,7-bis(3-piperidin-1-ylpropoxy)phenanthren-9-ol
CID 91179253
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine?
The IUPAC name of 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine (CID 57439391) is 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine.
What is the SMILES notation for 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine?
The canonical SMILES for 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine is c1cc2c(cc1OCCCN1CCC1)oc1ccc(OCCCN3CCC3)cc12.
What is the InChIKey of 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine?
The InChIKey is RTUCEGLTQCMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-9-25(10-1)13-3-15-27-19-6-8-23-22(17-19)21-7-5-20(18-24(21)29-23)28-16-4-14-26-11-2-12-26/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine?
1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine has a molecular weight of 394.52 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine is sourced from PubChem (CID 57439391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).