N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C22H21N3O4 — CID 7255338

IUPACN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)C(=O)c3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-2-29-16-9-7-15(8-10-16)25-13-14(11-20(25)26)24-22(28)21(27)18-12-23-19-6-4-3-5-17(18)19/h3-10,12,14,23H,2,11,13H2,1H3,(H,24,28)/t14-/m1/s1
InChIKeyNMVMJOURTSWSPH-CQSZACIVSA-N
MW391.43 g/mol
LogP2.67
Rot. Bonds6

About N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7255338) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7255338
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCCOc1ccc(N2C[C@H](NC(=O)C(=O)c3c[nH]c4ccccc34)CC2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-2-29-16-9-7-15(8-10-16)25-13-14(11-20(25)26)24-22(28)21(27)18-12-23-19-6-4-3-5-17(18)19/h3-10,12,14,23H,2,11,13H2,1H3,(H,24,28)/t14-/m1/s1
InChIKeyNMVMJOURTSWSPH-CQSZACIVSA-N
XLogP2.67
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7255338) is N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is CCOc1ccc(N2C[C@H](NC(=O)C(=O)c3c[nH]c4ccccc34)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NMVMJOURTSWSPH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-2-29-16-9-7-15(8-10-16)25-13-14(11-20(25)26)24-22(28)21(27)18-12-23-19-6-4-3-5-17(18)19/h3-10,12,14,23H,2,11,13H2,1H3,(H,24,28)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 391.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).