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

C24H25N3O4 — CID 7162311

IUPACN-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-31-18-10-8-17(9-11-18)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30)
InChIKeyKZCFRZGNQCTQTD-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.77
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162311) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162311
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-31-18-10-8-17(9-11-18)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30)
InChIKeyKZCFRZGNQCTQTD-UHFFFAOYSA-N
XLogP2.77
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.77
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)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 7162311) is N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is KZCFRZGNQCTQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-18-10-8-17(9-11-18)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).