N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide

C17H31NO — CID 59877451

IUPACN-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H31NO/c1-16(2,3)18-15(19)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,19)
InChIKeyDCGTXUBZFTWZNN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.43
Rot. Bonds2

About N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide

N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide (PubChem CID 59877451) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide
PubChem CID59877451
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCCCC1
InChIInChI=1S/C17H31NO/c1-16(2,3)18-15(19)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,19)
InChIKeyDCGTXUBZFTWZNN-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide (CID 59877451) is N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide is CC(C)(C)NC(=O)C1(C2CCCCC2)CCCCC1.
What is the InChIKey of N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is DCGTXUBZFTWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2,3)18-15(19)17(12-8-5-9-13-17)14-10-6-4-7-11-14/h14H,4-13H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide?
N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 265.44 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 59877451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).