3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide

C35H66N2O — CID 169107465

IUPAC3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(CC)CCCCCCCCC
InChIInChI=1S/C35H66N2O/c1-5-9-12-15-18-21-24-27-30-34(31-28-25-22-19-16-13-10-6-2)36-37-35(38)32-33(8-4)29-26-23-20-17-14-11-7-3/h18-19,21-22,33H,5-17,20,23-32H2,1-4H3,(H,37,38)/b21-18-,22-19-
InChIKeyIUPDWQYJVLKBOT-FRRVGIRPSA-N
MW530.93 g/mol
LogP11.63
Rot. Bonds28

About 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide

3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide (PubChem CID 169107465) has the molecular formula C35H66N2O and a molecular weight of 530.93 g/mol. Its IUPAC name is 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide.

Molecular Properties

Compound Name3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide
PubChem CID169107465
Molecular FormulaC35H66N2O
Molecular Weight530.93 g/mol
Exact Mass530.52
IUPAC Name3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(CC)CCCCCCCCC
InChIInChI=1S/C35H66N2O/c1-5-9-12-15-18-21-24-27-30-34(31-28-25-22-19-16-13-10-6-2)36-37-35(38)32-33(8-4)29-26-23-20-17-14-11-7-3/h18-19,21-22,33H,5-17,20,23-32H2,1-4H3,(H,37,38)/b21-18-,22-19-
InChIKeyIUPDWQYJVLKBOT-FRRVGIRPSA-N
XLogP11.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.93
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide?
The IUPAC name of 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide (CID 169107465) is 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide.
What is the SMILES notation for 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide?
The canonical SMILES for 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide is CCCCC/C=C\CCCC(CCC/C=C\CCCCC)=NNC(=O)CC(CC)CCCCCCCCC.
What is the InChIKey of 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide?
The InChIKey is IUPDWQYJVLKBOT-FRRVGIRPSA-N. The full InChI is InChI=1S/C35H66N2O/c1-5-9-12-15-18-21-24-27-30-34(31-28-25-22-19-16-13-10-6-2)36-37-35(38)32-33(8-4)29-26-23-20-17-14-11-7-3/h18-19,21-22,33H,5-17,20,23-32H2,1-4H3,(H,37,38)/b21-18-,22-19-.
What are the key properties of 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide?
3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide has a molecular weight of 530.93 g/mol, XLogP of 11.63, 28 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide is sourced from PubChem (CID 169107465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).