2-cyclohexylidenedecanediamide

C16H28N2O2 — CID 141435359

IUPAC2-cyclohexylidenedecanediamide
SMILESNC(=O)CCCCCCCC(C(N)=O)=C1CCCCC1
InChIInChI=1S/C16H28N2O2/c17-15(19)12-8-3-1-2-7-11-14(16(18)20)13-9-5-4-6-10-13/h1-12H2,(H2,17,19)(H2,18,20)
InChIKeyIGYXUOHGYYIGHR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.95
Rot. Bonds9

About 2-cyclohexylidenedecanediamide

2-cyclohexylidenedecanediamide (PubChem CID 141435359) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyclohexylidenedecanediamide.

Molecular Properties

Compound Name2-cyclohexylidenedecanediamide
PubChem CID141435359
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-cyclohexylidenedecanediamide
SMILESNC(=O)CCCCCCCC(C(N)=O)=C1CCCCC1
InChIInChI=1S/C16H28N2O2/c17-15(19)12-8-3-1-2-7-11-14(16(18)20)13-9-5-4-6-10-13/h1-12H2,(H2,17,19)(H2,18,20)
InChIKeyIGYXUOHGYYIGHR-UHFFFAOYSA-N
XLogP2.95
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidenedecanediamide?
The IUPAC name of 2-cyclohexylidenedecanediamide (CID 141435359) is 2-cyclohexylidenedecanediamide.
What is the SMILES notation for 2-cyclohexylidenedecanediamide?
The canonical SMILES for 2-cyclohexylidenedecanediamide is NC(=O)CCCCCCCC(C(N)=O)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidenedecanediamide?
The InChIKey is IGYXUOHGYYIGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-15(19)12-8-3-1-2-7-11-14(16(18)20)13-9-5-4-6-10-13/h1-12H2,(H2,17,19)(H2,18,20).
What are the key properties of 2-cyclohexylidenedecanediamide?
2-cyclohexylidenedecanediamide has a molecular weight of 280.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidenedecanediamide is sourced from PubChem (CID 141435359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).