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

C25H27N3O5 — CID 30288584

IUPACN-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C25H27N3O5/c1-3-28(18-8-10-19(32-2)11-9-18)25(31)24(30)21-16-27(22-7-5-4-6-20(21)22)17-23(29)26-12-14-33-15-13-26/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyIJYMZPJFPGMMFR-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.74
Rot. Bonds7

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

N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 30288584) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID30288584
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C25H27N3O5/c1-3-28(18-8-10-19(32-2)11-9-18)25(31)24(30)21-16-27(22-7-5-4-6-20(21)22)17-23(29)26-12-14-33-15-13-26/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyIJYMZPJFPGMMFR-UHFFFAOYSA-N
XLogP2.74
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16801367
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 43957368
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506565
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N,N-dibutyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506563
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 30288584) is N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is CCN(C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is IJYMZPJFPGMMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-3-28(18-8-10-19(32-2)11-9-18)25(31)24(30)21-16-27(22-7-5-4-6-20(21)22)17-23(29)26-12-14-33-15-13-26/h4-11,16H,3,12-15,17H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 449.51 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 30288584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).