1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C28H29N3O4 — CID 2955877

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-2-35-23-14-12-22(13-15-23)31-19-21(18-26(31)32)27(33)30-25-11-7-6-10-24(25)28(34)29-17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyXEZNCRFMCDXHAA-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.05
Rot. Bonds9

About 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2955877) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2955877
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-2-35-23-14-12-22(13-15-23)31-19-21(18-26(31)32)27(33)30-25-11-7-6-10-24(25)28(34)29-17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyXEZNCRFMCDXHAA-UHFFFAOYSA-N
XLogP4.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
(3S)-N-(2-carbamoylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7425511
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964263
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
(3R)-1-(4-butoxyphenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7325487
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
1-(4-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2925121

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 2955877) is 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XEZNCRFMCDXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-2-35-23-14-12-22(13-15-23)31-19-21(18-26(31)32)27(33)30-25-11-7-6-10-24(25)28(34)29-17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3,(H,29,34)(H,30,33).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2955877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).