4-oxooctadeca-9,11,13-trienamide

C18H29NO2 — CID 54365478

IUPAC4-oxooctadeca-9,11,13-trienamide
SMILESCCCCC=CC=CC=CCCCCC(=O)CCC(N)=O
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-16-18(19)21/h5-10H,2-4,11-16H2,1H3,(H2,19,21)
InChIKeyUPMGDUNQUGJAPK-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.24
Rot. Bonds13

About 4-oxooctadeca-9,11,13-trienamide

4-oxooctadeca-9,11,13-trienamide (PubChem CID 54365478) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 4-oxooctadeca-9,11,13-trienamide.

Molecular Properties

Compound Name4-oxooctadeca-9,11,13-trienamide
PubChem CID54365478
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name4-oxooctadeca-9,11,13-trienamide
SMILESCCCCC=CC=CC=CCCCCC(=O)CCC(N)=O
InChIInChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-16-18(19)21/h5-10H,2-4,11-16H2,1H3,(H2,19,21)
InChIKeyUPMGDUNQUGJAPK-UHFFFAOYSA-N
XLogP4.24
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-oxooctadeca-9,11,13-trienoate
CID 54166307
(17E,19E,21E,23E,27E,31E,33E,35E,37E)-dotetraconta-17,19,21,23,27,31,33,35,37-nonaene-4,9-dione
CID 146373935
tritriaconta-12,14-dien-5-one
CID 162922965
(E)-5-oxotetradec-9-enamide
CID 5370333
4-oxotetradecanamide
CID 176888940
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(E)-icos-11-enamide
CID 5365373
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-9-enamide
CID 75990485
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454

Frequently Asked Questions

What is the IUPAC name of 4-oxooctadeca-9,11,13-trienamide?
The IUPAC name of 4-oxooctadeca-9,11,13-trienamide (CID 54365478) is 4-oxooctadeca-9,11,13-trienamide.
What is the SMILES notation for 4-oxooctadeca-9,11,13-trienamide?
The canonical SMILES for 4-oxooctadeca-9,11,13-trienamide is CCCCC=CC=CC=CCCCCC(=O)CCC(N)=O.
What is the InChIKey of 4-oxooctadeca-9,11,13-trienamide?
The InChIKey is UPMGDUNQUGJAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-16-18(19)21/h5-10H,2-4,11-16H2,1H3,(H2,19,21).
What are the key properties of 4-oxooctadeca-9,11,13-trienamide?
4-oxooctadeca-9,11,13-trienamide has a molecular weight of 291.43 g/mol, XLogP of 4.24, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxooctadeca-9,11,13-trienamide is sourced from PubChem (CID 54365478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).