N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C25H27N3O5 — CID 4278107

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C25H27N3O5/c1-32-22-9-5-2-6-18(22)10-11-26-25(31)24(30)20-16-28(21-8-4-3-7-19(20)21)17-23(29)27-12-14-33-15-13-27/h2-9,16H,10-15,17H2,1H3,(H,26,31)
InChIKeySJLKKMPTOAZQID-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.05
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 4278107) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID4278107
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C25H27N3O5/c1-32-22-9-5-2-6-18(22)10-11-26-25(31)24(30)20-16-28(21-8-4-3-7-19(20)21)17-23(29)27-12-14-33-15-13-27/h2-9,16H,10-15,17H2,1H3,(H,26,31)
InChIKeySJLKKMPTOAZQID-UHFFFAOYSA-N
XLogP2.05
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 4278107) is N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is SJLKKMPTOAZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-32-22-9-5-2-6-18(22)10-11-26-25(31)24(30)20-16-28(21-8-4-3-7-19(20)21)17-23(29)27-12-14-33-15-13-27/h2-9,16H,10-15,17H2,1H3,(H,26,31).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 449.51 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 4278107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).