(E)-N'-(2-hydroxyethyl)octadec-9-enediamide

C20H38N2O3 — CID 87767010

IUPAC(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
SMILESNC(=O)CCCCCCC/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H38N2O3/c21-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(25)22-17-18-23/h1-2,23H,3-18H2,(H2,21,24)(H,22,25)/b2-1+
InChIKeyIGEGKRVQOOQUHK-OWOJBTEDSA-N
MW354.54 g/mol
LogP3.60
Rot. Bonds18

About (E)-N'-(2-hydroxyethyl)octadec-9-enediamide

(E)-N'-(2-hydroxyethyl)octadec-9-enediamide (PubChem CID 87767010) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is (E)-N'-(2-hydroxyethyl)octadec-9-enediamide.

Molecular Properties

Compound Name(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
PubChem CID87767010
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Name(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
SMILESNC(=O)CCCCCCC/C=C/CCCCCCCC(=O)NCCO
InChIInChI=1S/C20H38N2O3/c21-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(25)22-17-18-23/h1-2,23H,3-18H2,(H2,21,24)(H,22,25)/b2-1+
InChIKeyIGEGKRVQOOQUHK-OWOJBTEDSA-N
XLogP3.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)docos-13-enamide;hydrochloride
CID 173237481
N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide
CID 2186
(13Z,16Z)-N-(2-hydroxyethyl)docosa-13,16-dienamide
CID 155521217
hentetraconta-10,31-dienediamide
CID 175604494
N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
CID 123271475
icosa-8,12-dienediamide
CID 154110661
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
CID 154734676

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-hydroxyethyl)octadec-9-enediamide?
The IUPAC name of (E)-N'-(2-hydroxyethyl)octadec-9-enediamide (CID 87767010) is (E)-N'-(2-hydroxyethyl)octadec-9-enediamide.
What is the SMILES notation for (E)-N'-(2-hydroxyethyl)octadec-9-enediamide?
The canonical SMILES for (E)-N'-(2-hydroxyethyl)octadec-9-enediamide is NC(=O)CCCCCCC/C=C/CCCCCCCC(=O)NCCO.
What is the InChIKey of (E)-N'-(2-hydroxyethyl)octadec-9-enediamide?
The InChIKey is IGEGKRVQOOQUHK-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H38N2O3/c21-19(24)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(25)22-17-18-23/h1-2,23H,3-18H2,(H2,21,24)(H,22,25)/b2-1+.
What are the key properties of (E)-N'-(2-hydroxyethyl)octadec-9-enediamide?
(E)-N'-(2-hydroxyethyl)octadec-9-enediamide has a molecular weight of 354.54 g/mol, XLogP of 3.60, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-hydroxyethyl)octadec-9-enediamide is sourced from PubChem (CID 87767010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).