N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide

C22H22N2O2 — CID 118735182

IUPACN,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-24(2)22(25)18-10-11-20(19-9-6-13-23-16-19)21(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyIZOOABMVTBSYHI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.07
Rot. Bonds6

About N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide

N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide (PubChem CID 118735182) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide
PubChem CID118735182
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c1-24(2)22(25)18-10-11-20(19-9-6-13-23-16-19)21(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3
InChIKeyIZOOABMVTBSYHI-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide?
The IUPAC name of N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide (CID 118735182) is N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide?
The canonical SMILES for N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide is CN(C)C(=O)c1ccc(-c2cccnc2)c(OCCc2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide?
The InChIKey is IZOOABMVTBSYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-24(2)22(25)18-10-11-20(19-9-6-13-23-16-19)21(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide?
N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide 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 N,N-dimethyl-3-(2-phenylethoxy)-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 118735182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).