8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide

C24H50N4O2 — CID 18787747

IUPAC8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
SMILESCCCCCCCC(NC(=O)CCCCCCCN)NC(=O)CCCCCCCN
InChIInChI=1S/C24H50N4O2/c1-2-3-4-7-12-17-22(27-23(29)18-13-8-5-10-15-20-25)28-24(30)19-14-9-6-11-16-21-26/h22H,2-21,25-26H2,1H3,(H,27,29)(H,28,30)
InChIKeyRGJLTNBCBGOIEH-UHFFFAOYSA-N
MW426.69 g/mol
LogP4.50
Rot. Bonds22

About 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide

8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide (PubChem CID 18787747) has the molecular formula C24H50N4O2 and a molecular weight of 426.69 g/mol. Its IUPAC name is 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide.

Molecular Properties

Compound Name8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
PubChem CID18787747
Molecular FormulaC24H50N4O2
Molecular Weight426.69 g/mol
Exact Mass426.39
IUPAC Name8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
SMILESCCCCCCCC(NC(=O)CCCCCCCN)NC(=O)CCCCCCCN
InChIInChI=1S/C24H50N4O2/c1-2-3-4-7-12-17-22(27-23(29)18-13-8-5-10-15-20-25)28-24(30)19-14-9-6-11-16-21-26/h22H,2-21,25-26H2,1H3,(H,27,29)(H,28,30)
InChIKeyRGJLTNBCBGOIEH-UHFFFAOYSA-N
XLogP4.50
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-amino-1-(octadecanoylamino)butyl]octadecanamide
CID 141044961
N-(6-aminohexan-2-yl)octanamide
CID 123172105
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
ethyl (2S)-6-amino-2-(tetradecanoylamino)hexanoate
CID 87749566
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
zinc bis((2S)-6-amino-2-(dodecanoylamino)hexanoate)
CID 157255279
N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411

Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide?
The IUPAC name of 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide (CID 18787747) is 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide.
What is the SMILES notation for 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide?
The canonical SMILES for 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide is CCCCCCCC(NC(=O)CCCCCCCN)NC(=O)CCCCCCCN.
What is the InChIKey of 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide?
The InChIKey is RGJLTNBCBGOIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4O2/c1-2-3-4-7-12-17-22(27-23(29)18-13-8-5-10-15-20-25)28-24(30)19-14-9-6-11-16-21-26/h22H,2-21,25-26H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide?
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide has a molecular weight of 426.69 g/mol, XLogP of 4.50, 22 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide is sourced from PubChem (CID 18787747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).