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

C24H25N3O4 — CID 7162312

IUPACN-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C24H25N3O4/c1-31-21-11-5-2-8-17(21)14-25-24(30)23(29)19-15-27(20-10-4-3-9-18(19)20)16-22(28)26-12-6-7-13-26/h2-5,8-11,15H,6-7,12-14,16H2,1H3,(H,25,30)
InChIKeyHELKYLKLRAJNCB-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.77
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162312) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162312
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C24H25N3O4/c1-31-21-11-5-2-8-17(21)14-25-24(30)23(29)19-15-27(20-10-4-3-9-18(19)20)16-22(28)26-12-6-7-13-26/h2-5,8-11,15H,6-7,12-14,16H2,1H3,(H,25,30)
InChIKeyHELKYLKLRAJNCB-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-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 7162312) is N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccccc1CNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is HELKYLKLRAJNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-21-11-5-2-8-17(21)14-25-24(30)23(29)19-15-27(20-10-4-3-9-18(19)20)16-22(28)26-12-6-7-13-26/h2-5,8-11,15H,6-7,12-14,16H2,1H3,(H,25,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).