2-methyl-N-octadecylnon-8-enamide

C28H55NO — CID 21313289

IUPAC2-methyl-N-octadecylnon-8-enamide
SMILESC=CCCCCCC(C)C(=O)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H55NO/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29-28(30)27(3)25-23-21-9-7-5-2/h5,27H,2,4,6-26H2,1,3H3,(H,29,30)
InChIKeyHGJCQUYGXWYYNS-UHFFFAOYSA-N
MW421.75 g/mol
LogP9.14
Rot. Bonds24

About 2-methyl-N-octadecylnon-8-enamide

2-methyl-N-octadecylnon-8-enamide (PubChem CID 21313289) has the molecular formula C28H55NO and a molecular weight of 421.75 g/mol. Its IUPAC name is 2-methyl-N-octadecylnon-8-enamide.

Molecular Properties

Compound Name2-methyl-N-octadecylnon-8-enamide
PubChem CID21313289
Molecular FormulaC28H55NO
Molecular Weight421.75 g/mol
Exact Mass421.43
IUPAC Name2-methyl-N-octadecylnon-8-enamide
SMILESC=CCCCCCC(C)C(=O)NCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C28H55NO/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29-28(30)27(3)25-23-21-9-7-5-2/h5,27H,2,4,6-26H2,1,3H3,(H,29,30)
InChIKeyHGJCQUYGXWYYNS-UHFFFAOYSA-N
XLogP9.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.75
LogP ≤ 59.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Stearyl erucamide
CID 6436363
Oleyl palmitamide
CID 6436436
(+/-)-2,16,16-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethyamine
CID 5283438
N-(3-methyl-butyl)arachidonoylamide
CID 5283399
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283428
9-Octadecenamide, N-(9Z)-9-octadecen-1-yl-, (9Z)-
CID 6442040
(9Z)-N-(9Z)-9-Octadecen-1-yl-9-octadecenamide
CID 51341857
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
(+/-)-2,16,16-Trimethyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
CID 5283439
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283441
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-octadecylnon-8-enamide?
The IUPAC name of 2-methyl-N-octadecylnon-8-enamide (CID 21313289) is 2-methyl-N-octadecylnon-8-enamide.
What is the SMILES notation for 2-methyl-N-octadecylnon-8-enamide?
The canonical SMILES for 2-methyl-N-octadecylnon-8-enamide is C=CCCCCCC(C)C(=O)NCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-octadecylnon-8-enamide?
The InChIKey is HGJCQUYGXWYYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55NO/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26-29-28(30)27(3)25-23-21-9-7-5-2/h5,27H,2,4,6-26H2,1,3H3,(H,29,30).
What are the key properties of 2-methyl-N-octadecylnon-8-enamide?
2-methyl-N-octadecylnon-8-enamide has a molecular weight of 421.75 g/mol, XLogP of 9.14, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-octadecylnon-8-enamide is sourced from PubChem (CID 21313289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).