1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol

C38H81N3O13 — CID 58399699

IUPAC1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol
SMILESCOCCCN(C)CC(O)COCC(C)OCC(C)OCC(O)CN(CCCOC)CC(O)COCC(C)OCC(C)OCC(O)CN(C)CCCOC
InChIInChI=1S/C38H81N3O13/c1-31(23-49-27-35(42)19-39(5)13-10-16-46-7)52-26-34(4)54-30-38(45)22-41(15-12-18-48-9)21-37(44)28-50-24-32(2)51-25-33(3)53-29-36(43)20-40(6)14-11-17-47-8/h31-38,42-45H,10-30H2,1-9H3
InChIKeyFVUMJOQOKDKQHS-UHFFFAOYSA-N
MW788.07 g/mol
LogP0.36
Rot. Bonds40

About 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol

1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol (PubChem CID 58399699) has the molecular formula C38H81N3O13 and a molecular weight of 788.07 g/mol. Its IUPAC name is 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol
PubChem CID58399699
Molecular FormulaC38H81N3O13
Molecular Weight788.07 g/mol
Exact Mass787.58
IUPAC Name1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol
SMILESCOCCCN(C)CC(O)COCC(C)OCC(C)OCC(O)CN(CCCOC)CC(O)COCC(C)OCC(C)OCC(O)CN(C)CCCOC
InChIInChI=1S/C38H81N3O13/c1-31(23-49-27-35(42)19-39(5)13-10-16-46-7)52-26-34(4)54-30-38(45)22-41(15-12-18-48-9)21-37(44)28-50-24-32(2)51-25-33(3)53-29-36(43)20-40(6)14-11-17-47-8/h31-38,42-45H,10-30H2,1-9H3
InChIKeyFVUMJOQOKDKQHS-UHFFFAOYSA-N
XLogP0.36
TPSA173.71 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds40
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.07
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol with MolForge

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Related Compounds

1-[2-methoxyethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991846
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-[2-[2-[3-[butyl-[2-hydroxy-3-[2-[2-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]propoxy]propoxy]propyl]amino]-2-hydroxypropoxy]propoxy]propoxy]-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;methane;2-[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl butanoate
CID 158595548
1-(1-methoxypropan-2-yloxy)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 106991777

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol (CID 58399699) is 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol is COCCCN(C)CC(O)COCC(C)OCC(C)OCC(O)CN(CCCOC)CC(O)COCC(C)OCC(C)OCC(O)CN(C)CCCOC.
What is the InChIKey of 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol?
The InChIKey is FVUMJOQOKDKQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H81N3O13/c1-31(23-49-27-35(42)19-39(5)13-10-16-46-7)52-26-34(4)54-30-38(45)22-41(15-12-18-48-9)21-37(44)28-50-24-32(2)51-25-33(3)53-29-36(43)20-40(6)14-11-17-47-8/h31-38,42-45H,10-30H2,1-9H3.
What are the key properties of 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol?
1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol has a molecular weight of 788.07 g/mol, XLogP of 0.36, 40 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-hydroxy-3-[[2-hydroxy-3-[2-[2-[2-hydroxy-3-[3-methoxypropyl(methyl)amino]propoxy]propoxy]propoxy]propyl]-(3-methoxypropyl)amino]propoxy]propoxy]propoxy]-3-[3-methoxypropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 58399699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).