4-tert-butyl-N-phenylcyclohexane-1-carboxamide

C17H25NO — CID 2118495

IUPAC4-tert-butyl-N-phenylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)
InChIKeyFZJXQMQLHZCSIG-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.48
Rot. Bonds2

About 4-tert-butyl-N-phenylcyclohexane-1-carboxamide

4-tert-butyl-N-phenylcyclohexane-1-carboxamide (PubChem CID 2118495) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-tert-butyl-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-phenylcyclohexane-1-carboxamide
PubChem CID2118495
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-tert-butyl-N-phenylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19)
InChIKeyFZJXQMQLHZCSIG-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6918540
CID 6918540
CID 11942
CID 11942
CID 19998
CID 19998
CID 5354590
CID 5354590
CID 531884
CID 531884
CID 532827
CID 532827
CID 44467796
CID 44467796
CID 67096018
CID 67096018
CID 38661
CID 38661
CID 252606
CID 252606
CID 773723
CID 773723
CID 6918816
CID 6918816

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-phenylcyclohexane-1-carboxamide (CID 2118495) is 4-tert-butyl-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-phenylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-N-phenylcyclohexane-1-carboxamide?
The InChIKey is FZJXQMQLHZCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,3)14-11-9-13(10-12-14)16(19)18-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-phenylcyclohexane-1-carboxamide?
4-tert-butyl-N-phenylcyclohexane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 2118495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).