(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide

C21H39N3O2 — CID 141294013

IUPAC(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C=CNC(N)=O)C(N)=O
InChIInChI=1S/C21H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(22)25)17-18-24-21(23)26/h9-10,17-19H,2-8,11-16H2,1H3,(H2,22,25)(H3,23,24,26)/b10-9-,18-17?
InChIKeyQBTSSWKBFREAJB-RWARRFCWSA-N
MW365.56 g/mol
LogP4.92
Rot. Bonds17

About (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide

(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide (PubChem CID 141294013) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide
PubChem CID141294013
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C=CNC(N)=O)C(N)=O
InChIInChI=1S/C21H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(22)25)17-18-24-21(23)26/h9-10,17-19H,2-8,11-16H2,1H3,(H2,22,25)(H3,23,24,26)/b10-9-,18-17?
InChIKeyQBTSSWKBFREAJB-RWARRFCWSA-N
XLogP4.92
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-hexadecylicos-3-enamide
CID 87517477
2-hexadecylicos-11-enamide
CID 173011844
(Z)-2-aminooctadec-9-enamide
CID 56663673
(E)-2-methyloctadec-9-enamide
CID 19371032
(Z)-2-tert-butyloctadec-9-enamide
CID 139385050
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-methylicosa-11,14-dienamide
CID 175746328
2-pentadec-1-enylbutanediamide
CID 140575926
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
2-triacont-19-enylbutanediamide
CID 155758594
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide?
The IUPAC name of (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide (CID 141294013) is (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide.
What is the SMILES notation for (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide?
The canonical SMILES for (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(C=CNC(N)=O)C(N)=O.
What is the InChIKey of (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide?
The InChIKey is QBTSSWKBFREAJB-RWARRFCWSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(20(22)25)17-18-24-21(23)26/h9-10,17-19H,2-8,11-16H2,1H3,(H2,22,25)(H3,23,24,26)/b10-9-,18-17?.
What are the key properties of (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide?
(Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide has a molecular weight of 365.56 g/mol, XLogP of 4.92, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-(carbamoylamino)ethenyl]octadec-9-enamide is sourced from PubChem (CID 141294013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).