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

C26H29N3O5 — CID 16801354

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC
InChIInChI=1S/C26H29N3O5/c1-33-22-10-9-18(15-23(22)34-2)11-12-27-26(32)25(31)20-16-29(21-8-4-3-7-19(20)21)17-24(30)28-13-5-6-14-28/h3-4,7-10,15-16H,5-6,11-14,17H2,1-2H3,(H,27,32)
InChIKeyJEMBODVYJVRKHO-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.82
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 16801354) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID16801354
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC
InChIInChI=1S/C26H29N3O5/c1-33-22-10-9-18(15-23(22)34-2)11-12-27-26(32)25(31)20-16-29(21-8-4-3-7-19(20)21)17-24(30)28-13-5-6-14-28/h3-4,7-10,15-16H,5-6,11-14,17H2,1-2H3,(H,27,32)
InChIKeyJEMBODVYJVRKHO-UHFFFAOYSA-N
XLogP2.82
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 16801354) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is JEMBODVYJVRKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-33-22-10-9-18(15-23(22)34-2)11-12-27-26(32)25(31)20-16-29(21-8-4-3-7-19(20)21)17-24(30)28-13-5-6-14-28/h3-4,7-10,15-16H,5-6,11-14,17H2,1-2H3,(H,27,32).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 16801354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).