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

C23H31NO2 — CID 71655473

IUPAC4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C23H31NO2/c1-15(2)22-21(26-20-8-6-5-7-17(20)4)14-19(24-23(22)25)13-18-11-9-16(3)10-12-18/h9-12,14-15,17,20H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyIEEKRCLQMYQEAW-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.36
Rot. Bonds5

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

4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 71655473) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one
PubChem CID71655473
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1
InChIInChI=1S/C23H31NO2/c1-15(2)22-21(26-20-8-6-5-7-17(20)4)14-19(24-23(22)25)13-18-11-9-16(3)10-12-18/h9-12,14-15,17,20H,5-8,13H2,1-4H3,(H,24,25)
InChIKeyIEEKRCLQMYQEAW-UHFFFAOYSA-N
XLogP5.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one (CID 71655473) is 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one is Cc1ccc(Cc2cc(OC3CCCCC3C)c(C(C)C)c(=O)[nH]2)cc1.
What is the InChIKey of 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IEEKRCLQMYQEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-15(2)22-21(26-20-8-6-5-7-17(20)4)14-19(24-23(22)25)13-18-11-9-16(3)10-12-18/h9-12,14-15,17,20H,5-8,13H2,1-4H3,(H,24,25).
What are the key properties of 4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one?
4-(2-methylcyclohexyl)oxy-6-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 353.51 g/mol, XLogP of 5.36, 5 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-[(4-methylphenyl)methyl]-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 71655473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).