2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate

C17H20N2O5 — CID 44595123

IUPAC2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
SMILESCOc1ccc2c(C(=O)C(=O)OCCN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C17H20N2O5/c1-22-12-2-3-13-14(11-18-15(13)10-12)16(20)17(21)24-9-6-19-4-7-23-8-5-19/h2-3,10-11,18H,4-9H2,1H3
InChIKeyLTTVDUXKMLVIQS-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.23
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate

2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate (PubChem CID 44595123) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
PubChem CID44595123
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate
SMILESCOc1ccc2c(C(=O)C(=O)OCCN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C17H20N2O5/c1-22-12-2-3-13-14(11-18-15(13)10-12)16(20)17(21)24-9-6-19-4-7-23-8-5-19/h2-3,10-11,18H,4-9H2,1H3
InChIKeyLTTVDUXKMLVIQS-UHFFFAOYSA-N
XLogP1.23
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
6-methoxy-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206662
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
[3-(morpholin-4-ylmethyl)-1H-indol-6-yl] acetate
CID 68770660
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 12073682
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(6-methoxy-1H-indol-3-yl)-2-oxoacetamide;hydrochloride
CID 70075185
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
CID 25234507

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate (CID 44595123) is 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate is COc1ccc2c(C(=O)C(=O)OCCN3CCOCC3)c[nH]c2c1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate?
The InChIKey is LTTVDUXKMLVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-22-12-2-3-13-14(11-18-15(13)10-12)16(20)17(21)24-9-6-19-4-7-23-8-5-19/h2-3,10-11,18H,4-9H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate?
2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate has a molecular weight of 332.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-(6-methoxy-1H-indol-3-yl)-2-oxoacetate is sourced from PubChem (CID 44595123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).