N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide

C22H22N2O2 — CID 155538567

IUPACN-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)
InChIKeyLFGRESLGCGHUEH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.47
Rot. Bonds7

About N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide

N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (PubChem CID 155538567) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
PubChem CID155538567
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide
SMILESCCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25)
InChIKeyLFGRESLGCGHUEH-UHFFFAOYSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide (CID 155538567) is N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide is CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
The InChIKey is LFGRESLGCGHUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-14-26-21-5-3-4-17(15-21)16-24-22(25)20-8-6-18(7-9-20)19-10-12-23-13-11-19/h3-13,15H,2,14,16H2,1H3,(H,24,25).
What are the key properties of N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide?
N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 155538567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).