2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C24H25N3O3 — CID 40696532

IUPAC2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C24H25N3O3/c1-16-10-11-20(13-17(16)2)30-18(3)23(28)27-22-9-5-4-8-21(22)24(29)26-15-19-7-6-12-25-14-19/h4-14,18H,15H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyDYUZMSUHJBOXCL-GOSISDBHSA-N
MW403.48 g/mol
LogP4.03
Rot. Bonds7

About 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 40696532) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID40696532
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C24H25N3O3/c1-16-10-11-20(13-17(16)2)30-18(3)23(28)27-22-9-5-4-8-21(22)24(29)26-15-19-7-6-12-25-14-19/h4-14,18H,15H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1
InChIKeyDYUZMSUHJBOXCL-GOSISDBHSA-N
XLogP4.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94876781
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
N-(2-aminoethyl)-2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 120603874

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 40696532) is 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DYUZMSUHJBOXCL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-10-11-20(13-17(16)2)30-18(3)23(28)27-22-9-5-4-8-21(22)24(29)26-15-19-7-6-12-25-14-19/h4-14,18H,15H2,1-3H3,(H,26,29)(H,27,28)/t18-/m1/s1.
What are the key properties of 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 40696532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).