octadecanamide;1-(propylamino)ethanol

C23H50N2O2 — CID 137369550

IUPACoctadecanamide;1-(propylamino)ethanol
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCNC(C)O
InChIInChI=1S/C18H37NO.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-6-5(2)7/h2-17H2,1H3,(H2,19,20);5-7H,3-4H2,1-2H3
InChIKeyVOEVYJBERVWHPU-UHFFFAOYSA-N
MW386.67 g/mol
LogP6.06
Rot. Bonds19

About octadecanamide;1-(propylamino)ethanol

octadecanamide;1-(propylamino)ethanol (PubChem CID 137369550) has the molecular formula C23H50N2O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is octadecanamide;1-(propylamino)ethanol.

Molecular Properties

Compound Nameoctadecanamide;1-(propylamino)ethanol
PubChem CID137369550
Molecular FormulaC23H50N2O2
Molecular Weight386.67 g/mol
Exact Mass386.39
IUPAC Nameoctadecanamide;1-(propylamino)ethanol
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCCNC(C)O
InChIInChI=1S/C18H37NO.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-6-5(2)7/h2-17H2,1H3,(H2,19,20);5-7H,3-4H2,1-2H3
InChIKeyVOEVYJBERVWHPU-UHFFFAOYSA-N
XLogP6.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

octadecanamide;bis(propan-2-ol)
CID 90014672
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
dodecanamide;N-propylhydroxylamine
CID 175694166
hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
CID 174723566
dodecanamide;N-methylmethanamine
CID 159337435
octadecanamide;zinc
CID 87169213
octadecanamide;hydrochloride
CID 87891779
butane;octanamide
CID 87511414
12-(hexylamino)dodecanamide
CID 174861179
6-(decylamino)hexanamide
CID 13292350

Frequently Asked Questions

What is the IUPAC name of octadecanamide;1-(propylamino)ethanol?
The IUPAC name of octadecanamide;1-(propylamino)ethanol (CID 137369550) is octadecanamide;1-(propylamino)ethanol.
What is the SMILES notation for octadecanamide;1-(propylamino)ethanol?
The canonical SMILES for octadecanamide;1-(propylamino)ethanol is CCCCCCCCCCCCCCCCCC(N)=O.CCCNC(C)O.
What is the InChIKey of octadecanamide;1-(propylamino)ethanol?
The InChIKey is VOEVYJBERVWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-6-5(2)7/h2-17H2,1H3,(H2,19,20);5-7H,3-4H2,1-2H3.
What are the key properties of octadecanamide;1-(propylamino)ethanol?
octadecanamide;1-(propylamino)ethanol has a molecular weight of 386.67 g/mol, XLogP of 6.06, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanamide;1-(propylamino)ethanol is sourced from PubChem (CID 137369550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).