N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane

C18H47N3O3 — CID 162065601

IUPACN'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
SMILESC.C.C.C.C.CCCNC(=O)CCCCC(=O)NCCNCCO
InChIInChI=1S/C13H27N3O3.5CH4/c1-2-7-15-12(18)5-3-4-6-13(19)16-9-8-14-10-11-17;;;;;/h14,17H,2-11H2,1H3,(H,15,18)(H,16,19);5*1H4
InChIKeyZAKJSAOFRYMLCU-UHFFFAOYSA-N
MW353.59 g/mol
LogP2.95
Rot. Bonds12

About N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane

N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane (PubChem CID 162065601) has the molecular formula C18H47N3O3 and a molecular weight of 353.59 g/mol. Its IUPAC name is N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane.

Molecular Properties

Compound NameN'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
PubChem CID162065601
Molecular FormulaC18H47N3O3
Molecular Weight353.59 g/mol
Exact Mass353.36
IUPAC NameN'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
SMILESC.C.C.C.C.CCCNC(=O)CCCCC(=O)NCCNCCO
InChIInChI=1S/C13H27N3O3.5CH4/c1-2-7-15-12(18)5-3-4-6-13(19)16-9-8-14-10-11-17;;;;;/h14,17H,2-11H2,1H3,(H,15,18)(H,16,19);5*1H4
InChIKeyZAKJSAOFRYMLCU-UHFFFAOYSA-N
XLogP2.95
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
N-[3-(2-hydroxyethylamino)propyl]docosanamide
CID 87068513
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
N,N'-dipropyldecanediamide
CID 102239298
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
N-[2-(2-aminoethylamino)ethyl]heptadecanamide
CID 13469785
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
N-[2-(2-aminoethylamino)ethyl]nonanamide
CID 11959333
N-hexadecanoylhexadecanamide;2-(propylamino)ethanol
CID 175405051

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane?
The IUPAC name of N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane (CID 162065601) is N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane.
What is the SMILES notation for N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane?
The canonical SMILES for N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane is C.C.C.C.C.CCCNC(=O)CCCCC(=O)NCCNCCO.
What is the InChIKey of N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane?
The InChIKey is ZAKJSAOFRYMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3.5CH4/c1-2-7-15-12(18)5-3-4-6-13(19)16-9-8-14-10-11-17;;;;;/h14,17H,2-11H2,1H3,(H,15,18)(H,16,19);5*1H4.
What are the key properties of N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane?
N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane has a molecular weight of 353.59 g/mol, XLogP of 2.95, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane is sourced from PubChem (CID 162065601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).