(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide

C42H82N2O2 — CID 175513367

IUPAC(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCC
InChIInChI=1S/C24H47NO.C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,3-10,13-23H2,1-2H3,(H,25,26);9-10H,2-8,11-17H2,1H3,(H2,19,20)/b12-11-;10-9-
InChIKeyHRMQWFQBOUBXDQ-RNCLGPNQSA-N
MW647.13 g/mol
LogP13.23
Rot. Bonds35

About (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide

(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide (PubChem CID 175513367) has the molecular formula C42H82N2O2 and a molecular weight of 647.13 g/mol. Its IUPAC name is (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
PubChem CID175513367
Molecular FormulaC42H82N2O2
Molecular Weight647.13 g/mol
Exact Mass646.64
IUPAC Name(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCC
InChIInChI=1S/C24H47NO.C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,3-10,13-23H2,1-2H3,(H,25,26);9-10H,2-8,11-17H2,1H3,(H2,19,20)/b12-11-;10-9-
InChIKeyHRMQWFQBOUBXDQ-RNCLGPNQSA-N
XLogP13.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.13
LogP ≤ 513.23
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

N-ethyloctadecanamide;octadecanamide
CID 159879248
(E)-icos-11-enamide
CID 5365373
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366
(Z)-N-hexyltetradec-9-enamide;tetradecanamide
CID 156747401
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide?
The IUPAC name of (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide (CID 175513367) is (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide.
What is the SMILES notation for (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide?
The canonical SMILES for (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(N)=O.CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCC.
What is the InChIKey of (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide?
The InChIKey is HRMQWFQBOUBXDQ-RNCLGPNQSA-N. The full InChI is InChI=1S/C24H47NO.C18H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,3-10,13-23H2,1-2H3,(H,25,26);9-10H,2-8,11-17H2,1H3,(H2,19,20)/b12-11-;10-9-.
What are the key properties of (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide?
(Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide has a molecular weight of 647.13 g/mol, XLogP of 13.23, 35 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyldocos-13-enamide;(Z)-octadec-9-enamide is sourced from PubChem (CID 175513367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).