(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide

C19H34N2O2 — CID 122495763

IUPAC(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide
SMILESCC(C)(C)NC(=O)C1C/C=C\C(C)(C(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C19H34N2O2/c1-17(2,3)20-15(22)14-10-8-12-19(7,13-9-11-14)16(23)21-18(4,5)6/h8,12,14H,9-11,13H2,1-7H3,(H,20,22)(H,21,23)/b12-8-
InChIKeyFUVKYQOBPMSNNK-WQLSENKSSA-N
MW322.49 g/mol
LogP3.57
Rot. Bonds2

About (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide

(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide (PubChem CID 122495763) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide.

Molecular Properties

Compound Name(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide
PubChem CID122495763
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide
SMILESCC(C)(C)NC(=O)C1C/C=C\C(C)(C(=O)NC(C)(C)C)CCC1
InChIInChI=1S/C19H34N2O2/c1-17(2,3)20-15(22)14-10-8-12-19(7,13-9-11-14)16(23)21-18(4,5)6/h8,12,14H,9-11,13H2,1-7H3,(H,20,22)(H,21,23)/b12-8-
InChIKeyFUVKYQOBPMSNNK-WQLSENKSSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide?
The IUPAC name of (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide (CID 122495763) is (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide.
What is the SMILES notation for (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide?
The canonical SMILES for (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide is CC(C)(C)NC(=O)C1C/C=C\C(C)(C(=O)NC(C)(C)C)CCC1.
What is the InChIKey of (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide?
The InChIKey is FUVKYQOBPMSNNK-WQLSENKSSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-17(2,3)20-15(22)14-10-8-12-19(7,13-9-11-14)16(23)21-18(4,5)6/h8,12,14H,9-11,13H2,1-7H3,(H,20,22)(H,21,23)/b12-8-.
What are the key properties of (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide?
(2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-N,5-N-ditert-butyl-1-methylcyclooct-2-ene-1,5-dicarboxamide is sourced from PubChem (CID 122495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).