(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide

C24H43NO6 — CID 154734676

IUPAC(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H39NO2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22;5-3(6)1-2-4(7)8/h9-10,22H,2-8,11-19H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b10-9-;2-1-
InChIKeyHOTJHMUERWBCEI-HCOBDNFMSA-N
MW441.61 g/mol
LogP4.84
Rot. Bonds19

About (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide

(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide (PubChem CID 154734676) has the molecular formula C24H43NO6 and a molecular weight of 441.61 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
PubChem CID154734676
Molecular FormulaC24H43NO6
Molecular Weight441.61 g/mol
Exact Mass441.31
IUPAC Name(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H39NO2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22;5-3(6)1-2-4(7)8/h9-10,22H,2-8,11-19H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b10-9-;2-1-
InChIKeyHOTJHMUERWBCEI-HCOBDNFMSA-N
XLogP4.84
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.61
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide with MolForge

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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
(5Z,9Z)-N-(2-hydroxyethyl)icosa-5,9-dienamide
CID 171390761
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459
N-(2-hydroxyethyl)icosa-5,8,11-trienamide
CID 4029
acetic acid;N-propyloctadec-9-enamide
CID 173298738
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide?
The IUPAC name of (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide (CID 154734676) is (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide?
The canonical SMILES for (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide?
The InChIKey is HOTJHMUERWBCEI-HCOBDNFMSA-N. The full InChI is InChI=1S/C20H39NO2.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22;5-3(6)1-2-4(7)8/h9-10,22H,2-8,11-19H2,1H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b10-9-;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide?
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide has a molecular weight of 441.61 g/mol, XLogP of 4.84, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide is sourced from PubChem (CID 154734676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).