2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol

C18H40N4O4 — CID 23422494

IUPAC2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
SMILESOCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1
InChIInChI=1S/C18H40N4O4/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25/h23-26H,1-18H2
InChIKeyOBTITEMJOTUGKJ-UHFFFAOYSA-N
MW376.54 g/mol
LogP-2.04
Rot. Bonds8

About 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol

2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol (PubChem CID 23422494) has the molecular formula C18H40N4O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol.

Molecular Properties

Compound Name2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
PubChem CID23422494
Molecular FormulaC18H40N4O4
Molecular Weight376.54 g/mol
Exact Mass376.30
IUPAC Name2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
SMILESOCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1
InChIInChI=1S/C18H40N4O4/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25/h23-26H,1-18H2
InChIKeyOBTITEMJOTUGKJ-UHFFFAOYSA-N
XLogP-2.04
TPSA93.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The IUPAC name of 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol (CID 23422494) is 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol.
What is the SMILES notation for 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The canonical SMILES for 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol is OCCN1CCCN(CCO)CCN(CCO)CCCN(CCO)CC1.
What is the InChIKey of 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
The InChIKey is OBTITEMJOTUGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O4/c23-15-11-19-3-1-4-20(12-16-24)8-10-22(14-18-26)6-2-5-21(9-7-19)13-17-25/h23-26H,1-18H2.
What are the key properties of 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol?
2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol has a molecular weight of 376.54 g/mol, XLogP of -2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol is sourced from PubChem (CID 23422494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).