1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide

C21H33NO2 — CID 57164668

IUPAC1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)c1cc(C2(C(N)=O)CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H33NO2/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)21(18(22)24)10-8-7-9-11-21/h12-13,23H,7-11H2,1-6H3,(H2,22,24)
InChIKeyYWBRYQRZIZDOLW-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.67
Rot. Bonds2

About 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide

1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide (PubChem CID 57164668) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
PubChem CID57164668
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)c1cc(C2(C(N)=O)CCCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H33NO2/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)21(18(22)24)10-8-7-9-11-21/h12-13,23H,7-11H2,1-6H3,(H2,22,24)
InChIKeyYWBRYQRZIZDOLW-UHFFFAOYSA-N
XLogP4.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide (CID 57164668) is 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide is CC(C)(C)c1cc(C2(C(N)=O)CCCCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is YWBRYQRZIZDOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-19(2,3)15-12-14(13-16(17(15)23)20(4,5)6)21(18(22)24)10-8-7-9-11-21/h12-13,23H,7-11H2,1-6H3,(H2,22,24).
What are the key properties of 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide?
1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 331.50 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-4-hydroxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 57164668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).