N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

C23H23N3O4 — CID 3514052

IUPACN-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-30-17-10-8-16(9-11-17)24-23(29)22(28)19-14-26(20-7-3-2-6-18(19)20)15-21(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,24,29)
InChIKeyXUTVQBXSEJJCNB-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.09
Rot. Bonds6

About N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 3514052) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID3514052
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C23H23N3O4/c1-30-17-10-8-16(9-11-17)24-23(29)22(28)19-14-26(20-7-3-2-6-18(19)20)15-21(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,24,29)
InChIKeyXUTVQBXSEJJCNB-UHFFFAOYSA-N
XLogP3.09
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 3514052) is N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is XUTVQBXSEJJCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-30-17-10-8-16(9-11-17)24-23(29)22(28)19-14-26(20-7-3-2-6-18(19)20)15-21(27)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,24,29).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 3514052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).