6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one

C22H29NO2 — CID 141359803

IUPAC6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one
SMILESCC(C)(C)C1CCC(Oc2cc(Cc3ccccc3)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H29NO2/c1-22(2,3)17-9-11-19(12-10-17)25-20-14-18(23-21(24)15-20)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,23,24)
InChIKeyODWGIYJCBRJAMQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.95
Rot. Bonds4

About 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one

6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one (PubChem CID 141359803) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one
PubChem CID141359803
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one
SMILESCC(C)(C)C1CCC(Oc2cc(Cc3ccccc3)[nH]c(=O)c2)CC1
InChIInChI=1S/C22H29NO2/c1-22(2,3)17-9-11-19(12-10-17)25-20-14-18(23-21(24)15-20)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,23,24)
InChIKeyODWGIYJCBRJAMQ-UHFFFAOYSA-N
XLogP4.95
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-bis[(4-tert-butylcyclohexyl)oxy]anthracene
CID 139845435
5-tert-butyl-2-phenylmethoxypiperidine
CID 167076549
(4-tert-butylcyclohexyl)oxy-triphenylsilane
CID 101071066
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]ethylphosphonic acid
CID 51002113
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
4-tert-butyl-1-phenylmethoxypiperidine
CID 12722207
3-[3-[3-(4-tert-butylcyclohexyl)oxy-5-fluorophenyl]-N-methylanilino]propanoic acid
CID 90176995
2-(4-tert-butylcyclohexyl)oxy-4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 90318324
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
CID 86668419
2-amino-2-[6-(4-tert-butylcyclohexyl)oxyquinazolin-2-yl]propan-1-ol
CID 68605408
2-(4-tert-butylcyclohexyl)oxy-6-(2,3-dimethylbutan-2-yl)naphthalene
CID 123570731
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one?
The IUPAC name of 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one (CID 141359803) is 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one.
What is the SMILES notation for 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one?
The canonical SMILES for 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one is CC(C)(C)C1CCC(Oc2cc(Cc3ccccc3)[nH]c(=O)c2)CC1.
What is the InChIKey of 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one?
The InChIKey is ODWGIYJCBRJAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-22(2,3)17-9-11-19(12-10-17)25-20-14-18(23-21(24)15-20)13-16-7-5-4-6-8-16/h4-8,14-15,17,19H,9-13H2,1-3H3,(H,23,24).
What are the key properties of 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one?
6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one has a molecular weight of 339.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(4-tert-butylcyclohexyl)oxy-1H-pyridin-2-one is sourced from PubChem (CID 141359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).