ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate

C17H22N2O3 — CID 71490363

IUPACethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
SMILESCCOC(=O)C(c1c(C)[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C17H22N2O3/c1-3-22-17(20)16(19-8-10-21-11-9-19)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,16,18H,3,8-11H2,1-2H3
InChIKeyLITPDYBZHUZZGF-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.41
Rot. Bonds4

About ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate

ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate (PubChem CID 71490363) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
PubChem CID71490363
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate
SMILESCCOC(=O)C(c1c(C)[nH]c2ccccc12)N1CCOCC1
InChIInChI=1S/C17H22N2O3/c1-3-22-17(20)16(19-8-10-21-11-9-19)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,16,18H,3,8-11H2,1-2H3
InChIKeyLITPDYBZHUZZGF-UHFFFAOYSA-N
XLogP2.41
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
4-[2-methyl-1-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 134844207
4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
CID 696739
4-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]morpholine
CID 729468
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
(2R)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 29132189
2-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylprop-2-enyl)piperazin-1-yl]acetic acid
CID 42651553
ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-carboxylate
CID 6988265
2-(2-methyl-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 42650021

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate?
The IUPAC name of ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate (CID 71490363) is ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate.
What is the SMILES notation for ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate?
The canonical SMILES for ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate is CCOC(=O)C(c1c(C)[nH]c2ccccc12)N1CCOCC1.
What is the InChIKey of ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate?
The InChIKey is LITPDYBZHUZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-22-17(20)16(19-8-10-21-11-9-19)15-12(2)18-14-7-5-4-6-13(14)15/h4-7,16,18H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate?
ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate has a molecular weight of 302.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylacetate is sourced from PubChem (CID 71490363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).