N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C20H25N3O6 — CID 40506618

IUPACN-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOC(CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)OC
InChIInChI=1S/C20H25N3O6/c1-27-18(28-2)11-21-20(26)19(25)15-12-23(16-6-4-3-5-14(15)16)13-17(24)22-7-9-29-10-8-22/h3-6,12,18H,7-11,13H2,1-2H3,(H,21,26)
InChIKeyKDLHBYADPRIJNN-UHFFFAOYSA-N
MW403.44 g/mol
LogP0.42
Rot. Bonds8

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

N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 40506618) has the molecular formula C20H25N3O6 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID40506618
Molecular FormulaC20H25N3O6
Molecular Weight403.44 g/mol
Exact Mass403.17
IUPAC NameN-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCOC(CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)OC
InChIInChI=1S/C20H25N3O6/c1-27-18(28-2)11-21-20(26)19(25)15-12-23(16-6-4-3-5-14(15)16)13-17(24)22-7-9-29-10-8-22/h3-6,12,18H,7-11,13H2,1-2H3,(H,21,26)
InChIKeyKDLHBYADPRIJNN-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 4278105
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 4277938
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 4278110
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578
N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16801367
N-[(1R,2R)-2-methylcyclohexyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162355

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 40506618) is N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is COC(CNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is KDLHBYADPRIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6/c1-27-18(28-2)11-21-20(26)19(25)15-12-23(16-6-4-3-5-14(15)16)13-17(24)22-7-9-29-10-8-22/h3-6,12,18H,7-11,13H2,1-2H3,(H,21,26).
What are the key properties of N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 403.44 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 40506618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).