methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate

C15H18N2O3 — CID 20708406

IUPACmethyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate
SMILESC/C=N/CCn1ccc2c(OCC(=O)OC)cccc21
InChIInChI=1S/C15H18N2O3/c1-3-16-8-10-17-9-7-12-13(17)5-4-6-14(12)20-11-15(18)19-2/h3-7,9H,8,10-11H2,1-2H3/b16-3+
InChIKeyCIWMGMYSUSEABI-HQYXKAPLSA-N
MW274.32 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate

methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate (PubChem CID 20708406) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate
PubChem CID20708406
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate
SMILESC/C=N/CCn1ccc2c(OCC(=O)OC)cccc21
InChIInChI=1S/C15H18N2O3/c1-3-16-8-10-17-9-7-12-13(17)5-4-6-14(12)20-11-15(18)19-2/h3-7,9H,8,10-11H2,1-2H3/b16-3+
InChIKeyCIWMGMYSUSEABI-HQYXKAPLSA-N
XLogP2.28
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
CID 20708400
2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
CID 18351599
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
N-methyl-3-(4-propoxyindol-1-yl)propanamide
CID 83174183
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
tert-butyl 3-(4-methoxyindol-1-yl)propanoate
CID 116662779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate (CID 20708406) is methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate is C/C=N/CCn1ccc2c(OCC(=O)OC)cccc21.
What is the InChIKey of methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate?
The InChIKey is CIWMGMYSUSEABI-HQYXKAPLSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-16-8-10-17-9-7-12-13(17)5-4-6-14(12)20-11-15(18)19-2/h3-7,9H,8,10-11H2,1-2H3/b16-3+.
What are the key properties of methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate?
methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate has a molecular weight of 274.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate is sourced from PubChem (CID 20708406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).