4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

C22H22N2O2 — CID 77093047

IUPAC4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-24(15-12-17-10-13-23-14-11-17)22(25)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26-2/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyAWSPXKCBMXAHNP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.07
Rot. Bonds6

About 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 77093047) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID77093047
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-24(15-12-17-10-13-23-14-11-17)22(25)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26-2/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyAWSPXKCBMXAHNP-UHFFFAOYSA-N
XLogP4.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110316718
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 91768176
N-methyl-4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)benzamide
CID 110762446
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206552
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 77093047) is 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is COc1cccc(-c2ccc(C(=O)N(C)CCc3ccncc3)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is AWSPXKCBMXAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-24(15-12-17-10-13-23-14-11-17)22(25)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26-2/h3-11,13-14,16H,12,15H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 77093047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).