N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide

C16H33N3O2 — CID 101386033

IUPACN-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCNCCNC(=O)CCCCC
InChIInChI=1S/C16H33N3O2/c1-3-5-7-9-15(20)18-13-11-17-12-14-19-16(21)10-8-6-4-2/h17H,3-14H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHUAKXTUULIILPI-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.97
Rot. Bonds14

About N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide

N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide (PubChem CID 101386033) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
PubChem CID101386033
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC NameN-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
SMILESCCCCCC(=O)NCCNCCNC(=O)CCCCC
InChIInChI=1S/C16H33N3O2/c1-3-5-7-9-15(20)18-13-11-17-12-14-19-16(21)10-8-6-4-2/h17H,3-14H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHUAKXTUULIILPI-UHFFFAOYSA-N
XLogP1.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethyl]octanamide
CID 71344394
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[2-(2-aminoethylamino)ethyl]dodecanamide;dihydrobromide
CID 175205777
N-(3-oxopropyl)octanamide
CID 163482929
N-[2-[2-[2-[2-(octadeca-9,12-dienoylamino)ethylamino]ethylamino]ethylamino]ethyl]octadeca-9,12-dienamide
CID 57356255
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide?
The IUPAC name of N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide (CID 101386033) is N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide.
What is the SMILES notation for N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide?
The canonical SMILES for N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide is CCCCCC(=O)NCCNCCNC(=O)CCCCC.
What is the InChIKey of N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide?
The InChIKey is HUAKXTUULIILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-5-7-9-15(20)18-13-11-17-12-14-19-16(21)10-8-6-4-2/h17H,3-14H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide?
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide has a molecular weight of 299.46 g/mol, XLogP of 1.97, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide is sourced from PubChem (CID 101386033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).