N-[(4-tert-butylcyclohexylidene)amino]decanamide

C20H38N2O — CID 3348922

IUPACN-[(4-tert-butylcyclohexylidene)amino]decanamide
SMILESCCCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H38N2O/c1-5-6-7-8-9-10-11-12-19(23)22-21-18-15-13-17(14-16-18)20(2,3)4/h17H,5-16H2,1-4H3,(H,22,23)/b21-18-
InChIKeyAFXWMCZHVSSHPU-UZYVYHOESA-N
MW322.54 g/mol
LogP5.84
Rot. Bonds9

About N-[(4-tert-butylcyclohexylidene)amino]decanamide

N-[(4-tert-butylcyclohexylidene)amino]decanamide (PubChem CID 3348922) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexylidene)amino]decanamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexylidene)amino]decanamide
PubChem CID3348922
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC NameN-[(4-tert-butylcyclohexylidene)amino]decanamide
SMILESCCCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H38N2O/c1-5-6-7-8-9-10-11-12-19(23)22-21-18-15-13-17(14-16-18)20(2,3)4/h17H,5-16H2,1-4H3,(H,22,23)/b21-18-
InChIKeyAFXWMCZHVSSHPU-UZYVYHOESA-N
XLogP5.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]decanamide?
The IUPAC name of N-[(4-tert-butylcyclohexylidene)amino]decanamide (CID 3348922) is N-[(4-tert-butylcyclohexylidene)amino]decanamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexylidene)amino]decanamide?
The canonical SMILES for N-[(4-tert-butylcyclohexylidene)amino]decanamide is CCCCCCCCCC(=O)NN=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexylidene)amino]decanamide?
The InChIKey is AFXWMCZHVSSHPU-UZYVYHOESA-N. The full InChI is InChI=1S/C20H38N2O/c1-5-6-7-8-9-10-11-12-19(23)22-21-18-15-13-17(14-16-18)20(2,3)4/h17H,5-16H2,1-4H3,(H,22,23)/b21-18-.
What are the key properties of N-[(4-tert-butylcyclohexylidene)amino]decanamide?
N-[(4-tert-butylcyclohexylidene)amino]decanamide has a molecular weight of 322.54 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexylidene)amino]decanamide is sourced from PubChem (CID 3348922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).