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

C21H27N3O5 — CID 7162350

IUPACN-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCOCCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H27N3O5/c1-2-28-11-5-8-22-21(27)20(26)17-14-24(18-7-4-3-6-16(17)18)15-19(25)23-9-12-29-13-10-23/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,22,27)
InChIKeyXGNZFMLBSZSCAS-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.23
Rot. Bonds9

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

N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 7162350) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID7162350
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC NameN-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESCCOCCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H27N3O5/c1-2-28-11-5-8-22-21(27)20(26)17-14-24(18-7-4-3-6-16(17)18)15-19(25)23-9-12-29-13-10-23/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,22,27)
InChIKeyXGNZFMLBSZSCAS-UHFFFAOYSA-N
XLogP1.23
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 7162350) is N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is CCOCCCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is XGNZFMLBSZSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-2-28-11-5-8-22-21(27)20(26)17-14-24(18-7-4-3-6-16(17)18)15-19(25)23-9-12-29-13-10-23/h3-4,6-7,14H,2,5,8-13,15H2,1H3,(H,22,27).
What are the key properties of N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 401.46 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 7162350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).