N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide

C34H72N6O2 — CID 11274729

IUPACN-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C34H72N6O2/c1-3-5-7-9-11-13-21-33(41)39-31-19-29-37-27-17-25-35-23-15-16-24-36-26-18-28-38-30-20-32-40-34(42)22-14-12-10-8-6-4-2/h35-38H,3-32H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyCDKLITXPJGSWIN-UHFFFAOYSA-N
MW596.99 g/mol
LogP5.42
Rot. Bonds35

About N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide

N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide (PubChem CID 11274729) has the molecular formula C34H72N6O2 and a molecular weight of 596.99 g/mol. Its IUPAC name is N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide.

Molecular Properties

Compound NameN-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide
PubChem CID11274729
Molecular FormulaC34H72N6O2
Molecular Weight596.99 g/mol
Exact Mass596.57
IUPAC NameN-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC
InChIInChI=1S/C34H72N6O2/c1-3-5-7-9-11-13-21-33(41)39-31-19-29-37-27-17-25-35-23-15-16-24-36-26-18-28-38-30-20-32-40-34(42)22-14-12-10-8-6-4-2/h35-38H,3-32H2,1-2H3,(H,39,41)(H,40,42)
InChIKeyCDKLITXPJGSWIN-UHFFFAOYSA-N
XLogP5.42
TPSA106.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500596.99
LogP ≤ 55.42
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-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide?
The IUPAC name of N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide (CID 11274729) is N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide.
What is the SMILES notation for N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide?
The canonical SMILES for N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide is CCCCCCCCC(=O)NCCCNCCCNCCCCNCCCNCCCNC(=O)CCCCCCCC.
What is the InChIKey of N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide?
The InChIKey is CDKLITXPJGSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72N6O2/c1-3-5-7-9-11-13-21-33(41)39-31-19-29-37-27-17-25-35-23-15-16-24-36-26-18-28-38-30-20-32-40-34(42)22-14-12-10-8-6-4-2/h35-38H,3-32H2,1-2H3,(H,39,41)(H,40,42).
What are the key properties of N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide?
N-[3-[3-[4-[3-[3-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide has a molecular weight of 596.99 g/mol, XLogP of 5.42, 35 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-(nonanoylamino)propylamino]propylamino]butylamino]propylamino]propyl]nonanamide is sourced from PubChem (CID 11274729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).