6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide

C23H48N6O7 — CID 178093292

IUPAC6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide
SMILESCNC(CCCCNC(=O)CCOCCOCCC(=O)N(CCOCCN)CCOCCN)C(N)=O
InChIInChI=1S/C23H48N6O7/c1-27-20(23(26)32)4-2-3-9-28-21(30)5-12-33-18-19-34-13-6-22(31)29(10-16-35-14-7-24)11-17-36-15-8-25/h20,27H,2-19,24-25H2,1H3,(H2,26,32)(H,28,30)
InChIKeyACSIADOLRXNWNL-UHFFFAOYSA-N
MW520.67 g/mol
LogP-2.06
Rot. Bonds26

About 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide

6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide (PubChem CID 178093292) has the molecular formula C23H48N6O7 and a molecular weight of 520.67 g/mol. Its IUPAC name is 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide
PubChem CID178093292
Molecular FormulaC23H48N6O7
Molecular Weight520.67 g/mol
Exact Mass520.36
IUPAC Name6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide
SMILESCNC(CCCCNC(=O)CCOCCOCCC(=O)N(CCOCCN)CCOCCN)C(N)=O
InChIInChI=1S/C23H48N6O7/c1-27-20(23(26)32)4-2-3-9-28-21(30)5-12-33-18-19-34-13-6-22(31)29(10-16-35-14-7-24)11-17-36-15-8-25/h20,27H,2-19,24-25H2,1H3,(H2,26,32)(H,28,30)
InChIKeyACSIADOLRXNWNL-UHFFFAOYSA-N
XLogP-2.06
TPSA193.49 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.67
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?
The IUPAC name of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide (CID 178093292) is 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide.
What is the SMILES notation for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?
The canonical SMILES for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide is CNC(CCCCNC(=O)CCOCCOCCC(=O)N(CCOCCN)CCOCCN)C(N)=O.
What is the InChIKey of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?
The InChIKey is ACSIADOLRXNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N6O7/c1-27-20(23(26)32)4-2-3-9-28-21(30)5-12-33-18-19-34-13-6-22(31)29(10-16-35-14-7-24)11-17-36-15-8-25/h20,27H,2-19,24-25H2,1H3,(H2,26,32)(H,28,30).
What are the key properties of 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide?
6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide has a molecular weight of 520.67 g/mol, XLogP of -2.06, 26 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-[3-[bis[2-(2-aminoethoxy)ethyl]amino]-3-oxopropoxy]ethoxy]propanoylamino]-2-(methylamino)hexanamide is sourced from PubChem (CID 178093292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).