N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide

C24H52N6O2 — CID 10298030

IUPACN-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide
SMILESCCCCCCCC(=O)NCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H52N6O2/c1-2-3-4-5-6-14-23(31)29-20-8-7-13-22(26)24(32)30-21-12-19-28-17-10-9-16-27-18-11-15-25/h22,27-28H,2-21,25-26H2,1H3,(H,29,31)(H,30,32)/t22-/m0/s1
InChIKeyXFWOUFHAYKZQJF-QFIPXVFZSA-N
MW456.72 g/mol
LogP1.78
Rot. Bonds24

About N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide

N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide (PubChem CID 10298030) has the molecular formula C24H52N6O2 and a molecular weight of 456.72 g/mol. Its IUPAC name is N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide.

Molecular Properties

Compound NameN-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide
PubChem CID10298030
Molecular FormulaC24H52N6O2
Molecular Weight456.72 g/mol
Exact Mass456.42
IUPAC NameN-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide
SMILESCCCCCCCC(=O)NCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C24H52N6O2/c1-2-3-4-5-6-14-23(31)29-20-8-7-13-22(26)24(32)30-21-12-19-28-17-10-9-16-27-18-11-15-25/h22,27-28H,2-21,25-26H2,1H3,(H,29,31)(H,30,32)/t22-/m0/s1
InChIKeyXFWOUFHAYKZQJF-QFIPXVFZSA-N
XLogP1.78
TPSA134.30 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 51.78
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-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide?
The IUPAC name of N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide (CID 10298030) is N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide.
What is the SMILES notation for N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide?
The canonical SMILES for N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide is CCCCCCCC(=O)NCCCC[C@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide?
The InChIKey is XFWOUFHAYKZQJF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H52N6O2/c1-2-3-4-5-6-14-23(31)29-20-8-7-13-22(26)24(32)30-21-12-19-28-17-10-9-16-27-18-11-15-25/h22,27-28H,2-21,25-26H2,1H3,(H,29,31)(H,30,32)/t22-/m0/s1.
What are the key properties of N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide?
N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide has a molecular weight of 456.72 g/mol, XLogP of 1.78, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]octanamide is sourced from PubChem (CID 10298030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).