6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

C23H31NO3 — CID 71655472

IUPAC6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCOc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C23H31NO3/c1-15(2)22-21(27-20-8-6-5-7-16(20)3)14-18(24-23(22)25)13-17-9-11-19(26-4)12-10-17/h9-12,14-16,20H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyGHRLOSINCJHBPV-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.06
Rot. Bonds6

About 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one

6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 71655472) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
PubChem CID71655472
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one
SMILESCOc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C23H31NO3/c1-15(2)22-21(27-20-8-6-5-7-16(20)3)14-18(24-23(22)25)13-17-9-11-19(26-4)12-10-17/h9-12,14-16,20H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyGHRLOSINCJHBPV-UHFFFAOYSA-N
XLogP5.06
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

3-[3-(4-methoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5721431
3-[3-(4-ethoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5726238
6-[(4-fluorophenyl)methyl]-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 53304030
3-isopropyl-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 53304032
6-benzyl-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71655412
3-iodo-6-phenethyl-4-phenoxy-1H-pyridin-2-one
CID 118723627
3-isopropyl-6-phenethyl-4-phenoxy-1H-pyridin-2-one
CID 118723628
Zinc04953378
CID 5339151
3-[4-(3-Methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)pyrrole-2,5-dione
CID 5255246
4-[3-(2-methoxyphenyl)acryloyl]-1-methyl-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
CID 5339344
N-(8-methoxy-4-phenyl-3,4-dihydronaphthalen-2-yl)propanamide
CID 56926901
3-isopropyl-4-(2-methylcyclohexoxy)-6-(p-tolylmethyl)-1H-pyridin-2-one
CID 71655473

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one (CID 71655472) is 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is COc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is GHRLOSINCJHBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-15(2)22-21(27-20-8-6-5-7-16(20)3)14-18(24-23(22)25)13-17-9-11-19(26-4)12-10-17/h9-12,14-16,20H,5-8,13H2,1-4H3,(H,24,25).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one?
6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 369.51 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-4-(2-methylcyclohexyl)oxy-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 71655472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).