3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C24H23N3O4 — CID 55964259

IUPAC3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-3-13-31-21-11-10-18(15-22(21)30-2)24(29)27-19-9-6-7-17(14-19)23(28)26-16-20-8-4-5-12-25-20/h3-12,14-15H,1,13,16H2,2H3,(H,26,28)(H,27,29)
InChIKeyYSBRWIWSGNKEIP-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.84
Rot. Bonds9

About 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 55964259) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID55964259
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-3-13-31-21-11-10-18(15-22(21)30-2)24(29)27-19-9-6-7-17(14-19)23(28)26-16-20-8-4-5-12-25-20/h3-12,14-15H,1,13,16H2,2H3,(H,26,28)(H,27,29)
InChIKeyYSBRWIWSGNKEIP-UHFFFAOYSA-N
XLogP3.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
6-(diethylamino)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 48659585
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 55964259) is 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is C=CCOc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)cc1OC.
What is the InChIKey of 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is YSBRWIWSGNKEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-3-13-31-21-11-10-18(15-22(21)30-2)24(29)27-19-9-6-7-17(14-19)23(28)26-16-20-8-4-5-12-25-20/h3-12,14-15H,1,13,16H2,2H3,(H,26,28)(H,27,29).
What are the key properties of 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55964259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).