(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide

C24H23N3O4 — CID 177371631

IUPAC(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C24H23N3O4/c28-22(17-31-20-12-5-2-6-13-20)27-21(15-18-9-3-1-4-10-18)23(29)24(30)26-16-19-11-7-8-14-25-19/h1-14,21H,15-17H2,(H,26,30)(H,27,28)/t21-/m1/s1
InChIKeyWNXKEIDVGXREHY-OAQYLSRUSA-N
MW417.47 g/mol
LogP2.07
Rot. Bonds10

About (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide

(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 177371631) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID177371631
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide
SMILESO=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C24H23N3O4/c28-22(17-31-20-12-5-2-6-13-20)27-21(15-18-9-3-1-4-10-18)23(29)24(30)26-16-19-11-7-8-14-25-19/h1-14,21H,15-17H2,(H,26,30)(H,27,28)/t21-/m1/s1
InChIKeyWNXKEIDVGXREHY-OAQYLSRUSA-N
XLogP2.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
(2R)-1-benzyl-N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67094848
(2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoic acid
CID 68875961
(3R)-2-oxo-4-phenyl-N-(pyridin-2-ylmethyl)-3-[[(2R)-2-[2-[4-(trifluoromethyl)phenoxy]propanoylamino]propanoyl]amino]butanamide
CID 176647994
N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 67238293
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
N-[3,4-dioxo-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-thiophen-3-ylpyrrolidine-2-carboxamide
CID 154704610
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
tert-butyl (2S)-3-phenyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]propanoate
CID 68875721

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide (CID 177371631) is (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide is O=C(COc1ccccc1)N[C@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccn1.
What is the InChIKey of (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is WNXKEIDVGXREHY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(17-31-20-12-5-2-6-13-20)27-21(15-18-9-3-1-4-10-18)23(29)24(30)26-16-19-11-7-8-14-25-19/h1-14,21H,15-17H2,(H,26,30)(H,27,28)/t21-/m1/s1.
What are the key properties of (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide?
(3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 417.47 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-phenyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 177371631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).