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

C23H31NO2 — CID 53304032

IUPAC4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C23H31NO2/c1-16(2)22-21(26-20-12-8-7-9-17(20)3)15-19(24-23(22)25)14-13-18-10-5-4-6-11-18/h4-6,10-11,15-17,20H,7-9,12-14H2,1-3H3,(H,24,25)
InChIKeyTWHPGIQZGKDNQM-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.24
Rot. Bonds6

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

4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 53304032) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
PubChem CID53304032
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O
InChIInChI=1S/C23H31NO2/c1-16(2)22-21(26-20-12-8-7-9-17(20)3)15-19(24-23(22)25)14-13-18-10-5-4-6-11-18/h4-6,10-11,15-17,20H,7-9,12-14H2,1-3H3,(H,24,25)
InChIKeyTWHPGIQZGKDNQM-UHFFFAOYSA-N
XLogP5.24
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 53304030
CID 53304030
CID 53304031
CID 53304031
CID 71655412
CID 71655412
CID 71654830
CID 71654830
CID 71654835
CID 71654835
CID 71654898
CID 71654898
CID 71655472
CID 71655472
CID 71655473
CID 71655473
CID 71655474
CID 71655474
CID 71655475
CID 71655475
CID 71654767
CID 71654767
CID 71655208
CID 71655208

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one (CID 53304032) is 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one is CC(C)c1c(OC2CCCCC2C)cc(CCc2ccccc2)[nH]c1=O.
What is the InChIKey of 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is TWHPGIQZGKDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-16(2)22-21(26-20-12-8-7-9-17(20)3)15-19(24-23(22)25)14-13-18-10-5-4-6-11-18/h4-6,10-11,15-17,20H,7-9,12-14H2,1-3H3,(H,24,25).
What are the key properties of 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one?
4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 353.51 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 53304032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).