6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

C22H29NO2 — CID 71655412

IUPAC6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H29NO2/c1-15(2)21-20(25-19-12-8-7-9-16(19)3)14-18(23-22(21)24)13-17-10-5-4-6-11-17/h4-6,10-11,14-16,19H,7-9,12-13H2,1-3H3,(H,23,24)
InChIKeyBZUWQISDPPBBPF-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.05
Rot. Bonds5

About 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 71655412) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
PubChem CID71655412
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C22H29NO2/c1-15(2)21-20(25-19-12-8-7-9-16(19)3)14-18(23-22(21)24)13-17-10-5-4-6-11-17/h4-6,10-11,14-16,19H,7-9,12-13H2,1-3H3,(H,23,24)
InChIKeyBZUWQISDPPBBPF-UHFFFAOYSA-N
XLogP5.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (CID 71655412) is 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(OC2CCCCC2C)cc(Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is BZUWQISDPPBBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15(2)21-20(25-19-12-8-7-9-16(19)3)14-18(23-22(21)24)13-17-10-5-4-6-11-17/h4-6,10-11,14-16,19H,7-9,12-13H2,1-3H3,(H,23,24).
What are the key properties of 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 339.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 71655412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).