(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide

C24H43NO — CID 157422363

IUPAC(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C24H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b11-10-
InChIKeyIGEQFIWAYISQBF-KHPPLWFESA-N
MW361.61 g/mol
LogP7.08
Rot. Bonds16

About (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide

(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide (PubChem CID 157422363) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
PubChem CID157422363
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2
InChIInChI=1S/C24H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b11-10-
InChIKeyIGEQFIWAYISQBF-KHPPLWFESA-N
XLogP7.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.08
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

(Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]octadec-9-enamide
CID 118941239
(5Z,8Z,11Z,14Z)-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]icosa-5,8,11,14-tetraenamide
CID 118941240
(E)-N-tert-butyl-2-(cyclobutylmethyl)hex-4-enamide
CID 20790207
N-tert-butyloctadec-9-enamide
CID 53750347
(Z)-N-tert-butyloctadec-9-enamide
CID 73897825
(5Z,8Z,11Z,14Z)-N-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941241
(5Z,8Z,11Z,14Z)-N-(1-bicyclo[1.1.1]pentanyl)icosa-5,8,11,14-tetraenamide
CID 118941242
(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide
CID 122495757
(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide
CID 122495763
N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide
CID 130177999
(5Z,11Z,14Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)icosa-5,11,14-trienamide
CID 138690570
(9Z,12Z,15Z)-N-tert-butyloctadeca-9,12,15-trienamide
CID 139961916

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The IUPAC name of (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide (CID 157422363) is (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC12CC(C)(C1)C2.
What is the InChIKey of (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
The InChIKey is IGEQFIWAYISQBF-KHPPLWFESA-N. The full InChI is InChI=1S/C24H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)25-24-19-23(2,20-24)21-24/h10-11H,3-9,12-21H2,1-2H3,(H,25,26)/b11-10-.
What are the key properties of (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide?
(Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide has a molecular weight of 361.61 g/mol, XLogP of 7.08, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-methyl-1-bicyclo[1.1.1]pentanyl)octadec-9-enamide is sourced from PubChem (CID 157422363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).