5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide

C20H19N3O5 — CID 175926864

IUPAC5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19N3O5/c21-19(26)16-10-11-17(24)23(16)18(25)12-22-20(27)13-6-8-15(9-7-13)28-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H2,21,26)(H,22,27)
InChIKeySGIJXUKPKSYNMP-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.21
Rot. Bonds6

About 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide

5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 175926864) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID175926864
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(=O)N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19N3O5/c21-19(26)16-10-11-17(24)23(16)18(25)12-22-20(27)13-6-8-15(9-7-13)28-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H2,21,26)(H,22,27)
InChIKeySGIJXUKPKSYNMP-UHFFFAOYSA-N
XLogP1.21
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyloxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926869
7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 175689140
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
5-(oxan-2-yloxymethyl)-2-[2-[(4-phenoxybenzoyl)amino]acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175926848
(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438606
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438650
2-(2-oxopyrrolidin-1-yl)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55528962
(2S)-4-(difluoromethylidene)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226671
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 175926864) is 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(=O)N1C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is SGIJXUKPKSYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c21-19(26)16-10-11-17(24)23(16)18(25)12-22-20(27)13-6-8-15(9-7-13)28-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H2,21,26)(H,22,27).
What are the key properties of 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide?
5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175926864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).