ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate

C17H24N2O4 — CID 70836192

IUPACethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(OCCOC)cc(NC3CC3)c2N1
InChIInChI=1S/C17H24N2O4/c1-3-22-17(20)15-9-11-8-13(23-7-6-21-2)10-14(16(11)19-15)18-12-4-5-12/h8,10,12,15,18-19H,3-7,9H2,1-2H3
InChIKeyXHZUPXSFQQPIAU-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds8

About ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate

ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 70836192) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID70836192
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(OCCOC)cc(NC3CC3)c2N1
InChIInChI=1S/C17H24N2O4/c1-3-22-17(20)15-9-11-8-13(23-7-6-21-2)10-14(16(11)19-15)18-12-4-5-12/h8,10,12,15,18-19H,3-7,9H2,1-2H3
InChIKeyXHZUPXSFQQPIAU-UHFFFAOYSA-N
XLogP2.19
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate (CID 70836192) is ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate is CCOC(=O)C1Cc2cc(OCCOC)cc(NC3CC3)c2N1.
What is the InChIKey of ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is XHZUPXSFQQPIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-17(20)15-9-11-8-13(23-7-6-21-2)10-14(16(11)19-15)18-12-4-5-12/h8,10,12,15,18-19H,3-7,9H2,1-2H3.
What are the key properties of ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate?
ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(cyclopropylamino)-5-(2-methoxyethoxy)-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 70836192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).