2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide

C23H23N3O4 — CID 6498921

IUPAC2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H23N3O4/c1-16(30-21-12-6-5-11-20(21)29-2)22(27)26-19-10-4-3-9-18(19)23(28)25-15-17-8-7-13-24-14-17/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBJFXKTBDCPTGIC-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.43
Rot. Bonds8

About 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide

2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 6498921) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID6498921
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccccc1OC(C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H23N3O4/c1-16(30-21-12-6-5-11-20(21)29-2)22(27)26-19-10-4-3-9-18(19)23(28)25-15-17-8-7-13-24-14-17/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBJFXKTBDCPTGIC-UHFFFAOYSA-N
XLogP3.43
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6459085
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-[(2S)-2-hydroxypropyl]-N'-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]oxamide
CID 51815485
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 6498921) is 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide is COc1ccccc1OC(C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BJFXKTBDCPTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-16(30-21-12-6-5-11-20(21)29-2)22(27)26-19-10-4-3-9-18(19)23(28)25-15-17-8-7-13-24-14-17/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide?
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 6498921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).