ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate

C15H20N2O3 — CID 127030522

IUPACethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(OCCCN)cc12
InChIInChI=1S/C15H20N2O3/c1-3-19-15(18)14-10(2)17-13-6-5-11(9-12(13)14)20-8-4-7-16/h5-6,9,17H,3-4,7-8,16H2,1-2H3
InChIKeyDWSOJTDRHRJZPD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds6

About ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate

ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate (PubChem CID 127030522) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate
PubChem CID127030522
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2ccc(OCCCN)cc12
InChIInChI=1S/C15H20N2O3/c1-3-19-15(18)14-10(2)17-13-6-5-11(9-12(13)14)20-8-4-7-16/h5-6,9,17H,3-4,7-8,16H2,1-2H3
InChIKeyDWSOJTDRHRJZPD-UHFFFAOYSA-N
XLogP2.38
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate (CID 127030522) is ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate is CCOC(=O)c1c(C)[nH]c2ccc(OCCCN)cc12.
What is the InChIKey of ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate?
The InChIKey is DWSOJTDRHRJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-19-15(18)14-10(2)17-13-6-5-11(9-12(13)14)20-8-4-7-16/h5-6,9,17H,3-4,7-8,16H2,1-2H3.
What are the key properties of ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate?
ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-aminopropoxy)-2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 127030522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).