2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C24H25N3O4 — CID 38009731

IUPAC2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-22(31-19-10-6-9-18(14-19)30-2)24(29)27-21-12-5-4-11-20(21)23(28)26-16-17-8-7-13-25-15-17/h4-15,22H,3,16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyCOTXDSLDXDWQEK-QFIPXVFZSA-N
MW419.48 g/mol
LogP3.82
Rot. Bonds9

About 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 38009731) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID38009731
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C24H25N3O4/c1-3-22(31-19-10-6-9-18(14-19)30-2)24(29)27-21-12-5-4-11-20(21)23(28)26-16-17-8-7-13-25-15-17/h4-15,22H,3,16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m0/s1
InChIKeyCOTXDSLDXDWQEK-QFIPXVFZSA-N
XLogP3.82
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 38009731) is 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is COTXDSLDXDWQEK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-3-22(31-19-10-6-9-18(14-19)30-2)24(29)27-21-12-5-4-11-20(21)23(28)26-16-17-8-7-13-25-15-17/h4-15,22H,3,16H2,1-2H3,(H,26,28)(H,27,29)/t22-/m0/s1.
What are the key properties of 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 38009731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).