3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid

C23H22N2O4 — CID 146099183

IUPAC3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
SMILESCC(c1ccccc1)C(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-16(18-8-3-2-4-9-18)21(23(27)28)25-22(26)19-10-5-11-20(13-19)29-15-17-7-6-12-24-14-17/h2-14,16,21H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyYBJPOWHNDITYDZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.65
Rot. Bonds8

About 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid

3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid (PubChem CID 146099183) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
PubChem CID146099183
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
SMILESCC(c1ccccc1)C(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O
InChIInChI=1S/C23H22N2O4/c1-16(18-8-3-2-4-9-18)21(23(27)28)25-22(26)19-10-5-11-20(13-19)29-15-17-7-6-12-24-14-17/h2-14,16,21H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyYBJPOWHNDITYDZ-UHFFFAOYSA-N
XLogP3.65
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099236
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871
N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55774349
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319
3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The IUPAC name of 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid (CID 146099183) is 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid.
What is the SMILES notation for 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The canonical SMILES for 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid is CC(c1ccccc1)C(NC(=O)c1cccc(OCc2cccnc2)c1)C(=O)O.
What is the InChIKey of 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
The InChIKey is YBJPOWHNDITYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(18-8-3-2-4-9-18)21(23(27)28)25-22(26)19-10-5-11-20(13-19)29-15-17-7-6-12-24-14-17/h2-14,16,21H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid?
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid is sourced from PubChem (CID 146099183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).