N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide

C36H76N6O2 — CID 11240195

IUPACN-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCCC
InChIInChI=1S/C36H76N6O2/c1-3-5-7-9-11-13-15-23-35(43)41-33-21-31-39-29-19-27-37-25-17-18-26-38-28-20-30-40-32-22-34-42-36(44)24-16-14-12-10-8-6-4-2/h37-40H,3-34H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyCHUSHUSOJVMPDZ-UHFFFAOYSA-N
MW625.04 g/mol
LogP6.20
Rot. Bonds37

About N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide

N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide (PubChem CID 11240195) has the molecular formula C36H76N6O2 and a molecular weight of 625.04 g/mol. Its IUPAC name is N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide.

Molecular Properties

Compound NameN-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide
PubChem CID11240195
Molecular FormulaC36H76N6O2
Molecular Weight625.04 g/mol
Exact Mass624.60
IUPAC NameN-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide
SMILESCCCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCCC
InChIInChI=1S/C36H76N6O2/c1-3-5-7-9-11-13-15-23-35(43)41-33-21-31-39-29-19-27-37-25-17-18-26-38-28-20-30-40-32-22-34-42-36(44)24-16-14-12-10-8-6-4-2/h37-40H,3-34H2,1-2H3,(H,41,43)(H,42,44)
InChIKeyCHUSHUSOJVMPDZ-UHFFFAOYSA-N
XLogP6.20
TPSA106.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500625.04
LogP ≤ 56.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide?
The IUPAC name of N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide (CID 11240195) is N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide.
What is the SMILES notation for N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide?
The canonical SMILES for N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide is CCCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCCC.
What is the InChIKey of N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide?
The InChIKey is CHUSHUSOJVMPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76N6O2/c1-3-5-7-9-11-13-15-23-35(43)41-33-21-31-39-29-19-27-37-25-17-18-26-38-28-20-30-40-32-22-34-42-36(44)24-16-14-12-10-8-6-4-2/h37-40H,3-34H2,1-2H3,(H,41,43)(H,42,44).
What are the key properties of N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide?
N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide has a molecular weight of 625.04 g/mol, XLogP of 6.20, 37 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-[3-[3-(decanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]decanamide is sourced from PubChem (CID 11240195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).