(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide

C18H33NO — CID 122495757

IUPAC(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide
SMILESCC(C)(C)CC1(C(=O)NC(C)(C)C)/C=C\CCCCC1
InChIInChI=1S/C18H33NO/c1-16(2,3)14-18(15(20)19-17(4,5)6)12-10-8-7-9-11-13-18/h10,12H,7-9,11,13-14H2,1-6H3,(H,19,20)/b12-10-
InChIKeyMWUJUXOKCSQUGO-BENRWUELSA-N
MW279.47 g/mol
LogP4.84
Rot. Bonds2

About (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide

(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide (PubChem CID 122495757) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide.

Molecular Properties

Compound Name(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide
PubChem CID122495757
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide
SMILESCC(C)(C)CC1(C(=O)NC(C)(C)C)/C=C\CCCCC1
InChIInChI=1S/C18H33NO/c1-16(2,3)14-18(15(20)19-17(4,5)6)12-10-8-7-9-11-13-18/h10,12H,7-9,11,13-14H2,1-6H3,(H,19,20)/b12-10-
InChIKeyMWUJUXOKCSQUGO-BENRWUELSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide?
The IUPAC name of (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide (CID 122495757) is (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide.
What is the SMILES notation for (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide?
The canonical SMILES for (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide is CC(C)(C)CC1(C(=O)NC(C)(C)C)/C=C\CCCCC1.
What is the InChIKey of (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide?
The InChIKey is MWUJUXOKCSQUGO-BENRWUELSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(2,3)14-18(15(20)19-17(4,5)6)12-10-8-7-9-11-13-18/h10,12H,7-9,11,13-14H2,1-6H3,(H,19,20)/b12-10-.
What are the key properties of (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide?
(2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide has a molecular weight of 279.47 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-1-(2,2-dimethylpropyl)cyclooct-2-ene-1-carboxamide is sourced from PubChem (CID 122495757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).