N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide

C18H33NO — CID 23388557

IUPACN-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C2(C(=O)NC(C)(C)C)CCCCC2)CC1
InChIInChI=1S/C18H33NO/c1-14-8-10-15(11-9-14)18(12-6-5-7-13-18)16(20)19-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,20)
InChIKeyDZJXMRZPUCUOQC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.68
Rot. Bonds2

About N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide

N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 23388557) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID23388557
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(C2(C(=O)NC(C)(C)C)CCCCC2)CC1
InChIInChI=1S/C18H33NO/c1-14-8-10-15(11-9-14)18(12-6-5-7-13-18)16(20)19-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,20)
InChIKeyDZJXMRZPUCUOQC-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
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-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide (CID 23388557) is N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide is CC1CCC(C2(C(=O)NC(C)(C)C)CCCCC2)CC1.
What is the InChIKey of N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is DZJXMRZPUCUOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14-8-10-15(11-9-14)18(12-6-5-7-13-18)16(20)19-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide?
N-tert-butyl-1-(4-methylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 279.47 g/mol, XLogP of 4.68, 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-(4-methylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 23388557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).