2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C22H26N2O2 — CID 18125117

IUPAC2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-3-5-18(6-4-17)15-23(2)22(26)16-24-13-11-20(12-14-24)19-7-9-21(25)10-8-19/h3-11,25H,12-16H2,1-2H3
InChIKeyGMOOJUXBWQCSEJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.45
Rot. Bonds5

About 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 18125117) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID18125117
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-3-5-18(6-4-17)15-23(2)22(26)16-24-13-11-20(12-14-24)19-7-9-21(25)10-8-19/h3-11,25H,12-16H2,1-2H3
InChIKeyGMOOJUXBWQCSEJ-UHFFFAOYSA-N
XLogP3.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754171
N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682307
N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759157
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylacetamide
CID 47129873
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 114681230
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754167
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 18125117) is 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CC=C(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is GMOOJUXBWQCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-3-5-18(6-4-17)15-23(2)22(26)16-24-13-11-20(12-14-24)19-7-9-21(25)10-8-19/h3-11,25H,12-16H2,1-2H3.
What are the key properties of 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 18125117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).