N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide

C18H38N4O2 — CID 53387315

IUPACN-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCN(CCN)CCNC(=O)CCCCC
InChIInChI=1S/C18H38N4O2/c1-3-5-7-9-17(23)20-12-15-22(14-11-19)16-13-21-18(24)10-8-6-4-2/h3-16,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDXOJNLXCWHFJAR-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.64
Rot. Bonds16

About N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide

N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide (PubChem CID 53387315) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
PubChem CID53387315
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC NameN-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCN(CCN)CCNC(=O)CCCCC
InChIInChI=1S/C18H38N4O2/c1-3-5-7-9-17(23)20-12-15-22(14-11-19)16-13-21-18(24)10-8-6-4-2/h3-16,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDXOJNLXCWHFJAR-UHFFFAOYSA-N
XLogP1.64
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide 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-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
N-(2-aminoethyl)nonanamide
CID 13028008
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-octylamino]propanamide
CID 101430189
3-[2-aminoethyl(hexyl)amino]-N-undecylpropanamide;6-[2-[2-aminoethyl-[3-oxo-3-(undecylamino)propyl]amino]ethylamino]-N-undecylhexanamide;6-(5-aminopentylamino)-N-undecylhexanamide;6-[5-[[3-oxo-3-(undecylamino)propyl]amino]pentylamino]-N-undecylhexanamide
CID 123789929
N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
CID 156706251

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide (CID 53387315) is N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide is CCCCCC(=O)NCCN(CCN)CCNC(=O)CCCCC.
What is the InChIKey of N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide?
The InChIKey is DXOJNLXCWHFJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-3-5-7-9-17(23)20-12-15-22(14-11-19)16-13-21-18(24)10-8-6-4-2/h3-16,19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide?
N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide has a molecular weight of 342.53 g/mol, XLogP of 1.64, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-(hexanoylamino)ethyl]amino]ethyl]hexanamide is sourced from PubChem (CID 53387315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).