(Z)-octadec-9-enamide;propan-1-ol

C21H43NO2 — CID 174914657

IUPAC(Z)-octadec-9-enamide;propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCCO
InChIInChI=1S/C18H35NO.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);4H,2-3H2,1H3/b10-9-;
InChIKeySPTNFDJZSKYKPL-KVVVOXFISA-N
MW341.58 g/mol
LogP5.90
Rot. Bonds16

About (Z)-octadec-9-enamide;propan-1-ol

(Z)-octadec-9-enamide;propan-1-ol (PubChem CID 174914657) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is (Z)-octadec-9-enamide;propan-1-ol.

Molecular Properties

Compound Name(Z)-octadec-9-enamide;propan-1-ol
PubChem CID174914657
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name(Z)-octadec-9-enamide;propan-1-ol
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCCO
InChIInChI=1S/C18H35NO.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);4H,2-3H2,1H3/b10-9-;
InChIKeySPTNFDJZSKYKPL-KVVVOXFISA-N
XLogP5.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
decan-1-amine;dodecan-1-amine;hexadecan-1-amine;hexadecan-1-ol;icosan-1-ol;octadec-9-enamide;octan-1-amine;tridecan-1-amine
CID 173402399

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enamide;propan-1-ol?
The IUPAC name of (Z)-octadec-9-enamide;propan-1-ol (CID 174914657) is (Z)-octadec-9-enamide;propan-1-ol.
What is the SMILES notation for (Z)-octadec-9-enamide;propan-1-ol?
The canonical SMILES for (Z)-octadec-9-enamide;propan-1-ol is CCCCCCCC/C=C\CCCCCCCC(N)=O.CCCO.
What is the InChIKey of (Z)-octadec-9-enamide;propan-1-ol?
The InChIKey is SPTNFDJZSKYKPL-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35NO.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4/h9-10H,2-8,11-17H2,1H3,(H2,19,20);4H,2-3H2,1H3/b10-9-;.
What are the key properties of (Z)-octadec-9-enamide;propan-1-ol?
(Z)-octadec-9-enamide;propan-1-ol has a molecular weight of 341.58 g/mol, XLogP of 5.90, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enamide;propan-1-ol is sourced from PubChem (CID 174914657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).