8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid

C25H49NO4 — CID 151935733

IUPAC8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCCCCCCC(=O)O
InChIInChI=1S/C25H49NO4/c1-2-3-4-5-6-13-18-23-30-25(29)20-15-10-8-12-17-22-26-21-16-11-7-9-14-19-24(27)28/h26H,2-23H2,1H3,(H,27,28)
InChIKeySZTCQVMKPBBDEB-UHFFFAOYSA-N
MW427.67 g/mol
LogP6.64
Rot. Bonds24

About 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid

8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid (PubChem CID 151935733) has the molecular formula C25H49NO4 and a molecular weight of 427.67 g/mol. Its IUPAC name is 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid.

Molecular Properties

Compound Name8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
PubChem CID151935733
Molecular FormulaC25H49NO4
Molecular Weight427.67 g/mol
Exact Mass427.37
IUPAC Name8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCCCCCCC(=O)O
InChIInChI=1S/C25H49NO4/c1-2-3-4-5-6-13-18-23-30-25(29)20-15-10-8-12-17-22-26-21-16-11-7-9-14-19-24(27)28/h26H,2-23H2,1H3,(H,27,28)
InChIKeySZTCQVMKPBBDEB-UHFFFAOYSA-N
XLogP6.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
14-decoxy-14-oxotetradecanoic acid
CID 87963491
dodecanoic acid;octyl tetradecanoate
CID 175586001
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
17-tetradecanoyloxyheptadecanoic acid
CID 170564356

Frequently Asked Questions

What is the IUPAC name of 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid?
The IUPAC name of 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid (CID 151935733) is 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid.
What is the SMILES notation for 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid?
The canonical SMILES for 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid is CCCCCCCCCOC(=O)CCCCCCCNCCCCCCCC(=O)O.
What is the InChIKey of 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid?
The InChIKey is SZTCQVMKPBBDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO4/c1-2-3-4-5-6-13-18-23-30-25(29)20-15-10-8-12-17-22-26-21-16-11-7-9-14-19-24(27)28/h26H,2-23H2,1H3,(H,27,28).
What are the key properties of 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid?
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid has a molecular weight of 427.67 g/mol, XLogP of 6.64, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid is sourced from PubChem (CID 151935733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).