N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide

C22H28N2O2 — CID 122196564

IUPACN-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(N(CCc2cccc(C)n2)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-7-6-10-19(23-17)15-16-24(20-11-13-21(26-2)14-12-20)22(25)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15-16H2,1-2H3
InChIKeyBFQTUZNMYNKQNQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.55
Rot. Bonds6

About N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide

N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide (PubChem CID 122196564) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide
PubChem CID122196564
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(N(CCc2cccc(C)n2)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-7-6-10-19(23-17)15-16-24(20-11-13-21(26-2)14-12-20)22(25)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15-16H2,1-2H3
InChIKeyBFQTUZNMYNKQNQ-UHFFFAOYSA-N
XLogP4.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide (CID 122196564) is N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide is COc1ccc(N(CCc2cccc(C)n2)C(=O)C2CCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide?
The InChIKey is BFQTUZNMYNKQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-7-6-10-19(23-17)15-16-24(20-11-13-21(26-2)14-12-20)22(25)18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15-16H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide?
N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[2-(6-methyl-2-pyridinyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 122196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).