N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide

C17H28N2O2 — CID 111434283

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)C2(C#N)CCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2,3)13-5-9-17(21,10-6-13)12-19-14(20)16(11-18)7-4-8-16/h13,21H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyQFAGTOCLRYHPLR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.76
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide (PubChem CID 111434283) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
PubChem CID111434283
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)C2(C#N)CCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-15(2,3)13-5-9-17(21,10-6-13)12-19-14(20)16(11-18)7-4-8-16/h13,21H,4-10,12H2,1-3H3,(H,19,20)
InChIKeyQFAGTOCLRYHPLR-UHFFFAOYSA-N
XLogP2.76
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[(1-cyclopropylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 103839419
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-methyloxane-4-carboxamide
CID 56787801
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
1-cyano-N-[(1-methoxycyclobutyl)methyl]cyclobutane-1-carboxamide
CID 103993297
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
4-tert-butyl-1-cyanocyclohexane-1-carboxylic acid
CID 79131613
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
N-[3-(tert-butylamino)-3-oxopropyl]-1-cyanocyclobutane-1-carboxamide
CID 112692116
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide (CID 111434283) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide is CC(C)(C)C1CCC(O)(CNC(=O)C2(C#N)CCC2)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide?
The InChIKey is QFAGTOCLRYHPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-15(2,3)13-5-9-17(21,10-6-13)12-19-14(20)16(11-18)7-4-8-16/h13,21H,4-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 111434283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).