(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate

C21H20N2O6 — CID 19166619

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate
SMILESO=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H20N2O6/c24-18(14-28-16-9-5-2-6-10-16)22-17(13-15-7-3-1-4-8-15)21(27)29-23-19(25)11-12-20(23)26/h1-10,17H,11-14H2,(H,22,24)
InChIKeyCNNQHXHGCGITSR-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.40
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate

(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate (PubChem CID 19166619) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate
PubChem CID19166619
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate
SMILESO=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C21H20N2O6/c24-18(14-28-16-9-5-2-6-10-16)22-17(13-15-7-3-1-4-8-15)21(27)29-23-19(25)11-12-20(23)26/h1-10,17H,11-14H2,(H,22,24)
InChIKeyCNNQHXHGCGITSR-UHFFFAOYSA-N
XLogP1.40
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
(2,5-dioxopyrrolidin-1-yl) 8-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-8-oxooctanoate
CID 89032054
methyl 2-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
CID 87429404
(2,5-dioxopyrrolidin-1-yl) 2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoate
CID 73399671
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 155286862
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
(1,3-dioxoisoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479587
(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-hexyl-3-oxodecanoyl)amino]-3-phenylpropanoate
CID 21309939

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate (CID 19166619) is (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate is O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate?
The InChIKey is CNNQHXHGCGITSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c24-18(14-28-16-9-5-2-6-10-16)22-17(13-15-7-3-1-4-8-15)21(27)29-23-19(25)11-12-20(23)26/h1-10,17H,11-14H2,(H,22,24).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate has a molecular weight of 396.40 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2-phenoxyacetyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 19166619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).