N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide

C28H55N3O3 — CID 90402751

IUPACN-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCC)C(=O)CCCCCCC
InChIInChI=1S/C28H55N3O3/c1-4-7-10-13-16-19-26(32)29-22-24-31(28(34)21-18-15-12-9-6-3)25-23-30-27(33)20-17-14-11-8-5-2/h4-25H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyCJEGVXNQHRLHNK-UHFFFAOYSA-N
MW481.77 g/mol
LogP6.13
Rot. Bonds24

About N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide

N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide (PubChem CID 90402751) has the molecular formula C28H55N3O3 and a molecular weight of 481.77 g/mol. Its IUPAC name is N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide.

Molecular Properties

Compound NameN-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
PubChem CID90402751
Molecular FormulaC28H55N3O3
Molecular Weight481.77 g/mol
Exact Mass481.42
IUPAC NameN-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
SMILESCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCC)C(=O)CCCCCCC
InChIInChI=1S/C28H55N3O3/c1-4-7-10-13-16-19-26(32)29-22-24-31(28(34)21-18-15-12-9-6-3)25-23-30-27(33)20-17-14-11-8-5-2/h4-25H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyCJEGVXNQHRLHNK-UHFFFAOYSA-N
XLogP6.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
(Z)-N-[2-[2-[[(Z)-octadec-9-enoyl]-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethyl]amino]ethylamino]ethyl]octadec-9-enamide
CID 90684442
acetic acid;N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
CID 154734795
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
CID 129151974
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908

Frequently Asked Questions

What is the IUPAC name of N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide?
The IUPAC name of N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide (CID 90402751) is N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide.
What is the SMILES notation for N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide?
The canonical SMILES for N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide is CCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCC)C(=O)CCCCCCC.
What is the InChIKey of N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide?
The InChIKey is CJEGVXNQHRLHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N3O3/c1-4-7-10-13-16-19-26(32)29-22-24-31(28(34)21-18-15-12-9-6-3)25-23-30-27(33)20-17-14-11-8-5-2/h4-25H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide?
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide has a molecular weight of 481.77 g/mol, XLogP of 6.13, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide is sourced from PubChem (CID 90402751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).