3-ethyl-4-ethylidene-N-heptylhept-5-enamide

C18H33NO — CID 123884689

IUPAC3-ethyl-4-ethylidene-N-heptylhept-5-enamide
SMILESCC=CC(=CC)C(CC)CC(=O)NCCCCCCC
InChIInChI=1S/C18H33NO/c1-5-9-10-11-12-14-19-18(20)15-17(8-4)16(7-3)13-6-2/h6-7,13,17H,5,8-12,14-15H2,1-4H3,(H,19,20)
InChIKeyADBRYGDZYRAKJN-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.01
Rot. Bonds11

About 3-ethyl-4-ethylidene-N-heptylhept-5-enamide

3-ethyl-4-ethylidene-N-heptylhept-5-enamide (PubChem CID 123884689) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-ethyl-4-ethylidene-N-heptylhept-5-enamide.

Molecular Properties

Compound Name3-ethyl-4-ethylidene-N-heptylhept-5-enamide
PubChem CID123884689
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-ethyl-4-ethylidene-N-heptylhept-5-enamide
SMILESCC=CC(=CC)C(CC)CC(=O)NCCCCCCC
InChIInChI=1S/C18H33NO/c1-5-9-10-11-12-14-19-18(20)15-17(8-4)16(7-3)13-6-2/h6-7,13,17H,5,8-12,14-15H2,1-4H3,(H,19,20)
InChIKeyADBRYGDZYRAKJN-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-Methylarachidonoyl-(2'-fluoroethyl)amide
CID 5283437
N-propyl arachidonoyl amine
CID 5283394
(5Z,8Z,11Z,13S,14Z)-N-cyclopropyl-13-methylicosa-5,8,11,14-tetraenamide
CID 145971834
N-ethyl arachidonoyl amine
CID 5283391
N-(3-methyl-butyl)arachidonoylamide
CID 5283399
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283428
N-butyl arachidonoyl amine
CID 5283396
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
N-propyl alpha,alpha-dimethylarachidonoyl amine
CID 5283417
N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)-2,17,17,-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283441

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-ethylidene-N-heptylhept-5-enamide?
The IUPAC name of 3-ethyl-4-ethylidene-N-heptylhept-5-enamide (CID 123884689) is 3-ethyl-4-ethylidene-N-heptylhept-5-enamide.
What is the SMILES notation for 3-ethyl-4-ethylidene-N-heptylhept-5-enamide?
The canonical SMILES for 3-ethyl-4-ethylidene-N-heptylhept-5-enamide is CC=CC(=CC)C(CC)CC(=O)NCCCCCCC.
What is the InChIKey of 3-ethyl-4-ethylidene-N-heptylhept-5-enamide?
The InChIKey is ADBRYGDZYRAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-9-10-11-12-14-19-18(20)15-17(8-4)16(7-3)13-6-2/h6-7,13,17H,5,8-12,14-15H2,1-4H3,(H,19,20).
What are the key properties of 3-ethyl-4-ethylidene-N-heptylhept-5-enamide?
3-ethyl-4-ethylidene-N-heptylhept-5-enamide has a molecular weight of 279.47 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-ethylidene-N-heptylhept-5-enamide is sourced from PubChem (CID 123884689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).