2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol

C24H52N2O8 — CID 118500183

IUPAC2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol
SMILESCOCCOC(C)CN(CCCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO
InChIInChI=1S/C24H52N2O8/c1-21(31-12-9-27)17-25(18-22(2)32-13-10-28)7-6-8-26(19-23(3)33-14-11-29)20-24(4)34-16-15-30-5/h21-24,27-29H,6-20H2,1-5H3
InChIKeyDHXXZJCRFWQMDN-UHFFFAOYSA-N
MW496.69 g/mol
LogP0.22
Rot. Bonds25

About 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol

2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol (PubChem CID 118500183) has the molecular formula C24H52N2O8 and a molecular weight of 496.69 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol
PubChem CID118500183
Molecular FormulaC24H52N2O8
Molecular Weight496.69 g/mol
Exact Mass496.37
IUPAC Name2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol
SMILESCOCCOC(C)CN(CCCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO
InChIInChI=1S/C24H52N2O8/c1-21(31-12-9-27)17-25(18-22(2)32-13-10-28)7-6-8-26(19-23(3)33-14-11-29)20-24(4)34-16-15-30-5/h21-24,27-29H,6-20H2,1-5H3
InChIKeyDHXXZJCRFWQMDN-UHFFFAOYSA-N
XLogP0.22
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.69
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
ethane;2-(2-methoxyethoxy)butane
CID 168922397
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
CID 90747134
ethane;2-methoxyethanol
CID 175109361
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
1-[2-hydroxyethyl-[2-(2-hydroxypropoxy)propyl]amino]propan-2-ol
CID 148541643
(2R,3R,4R,5S)-6-[3-methoxypropyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexane-1,2,3,4,5-pentol
CID 122500972
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
4-(2-methoxyethoxy)pentan-2-one
CID 64697954

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol?
The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol (CID 118500183) is 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol?
The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol is COCCOC(C)CN(CCCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO.
What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol?
The InChIKey is DHXXZJCRFWQMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O8/c1-21(31-12-9-27)17-25(18-22(2)32-13-10-28)7-6-8-26(19-23(3)33-14-11-29)20-24(4)34-16-15-30-5/h21-24,27-29H,6-20H2,1-5H3.
What are the key properties of 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol?
2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol has a molecular weight of 496.69 g/mol, XLogP of 0.22, 25 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol is sourced from PubChem (CID 118500183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).