methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate

C15H20N2O3 — CID 10826326

IUPACmethyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)n(C)c2ccc(OC)c(N)c12
InChIInChI=1S/C15H20N2O3/c1-8(2)14-12(15(18)20-5)11-9(17(14)3)6-7-10(19-4)13(11)16/h6-8H,16H2,1-5H3
InChIKeyWBROBDWYOVXHTJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.68
Rot. Bonds3

About methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate

methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate (PubChem CID 10826326) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate
PubChem CID10826326
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate
SMILESCOC(=O)c1c(C(C)C)n(C)c2ccc(OC)c(N)c12
InChIInChI=1S/C15H20N2O3/c1-8(2)14-12(15(18)20-5)11-9(17(14)3)6-7-10(19-4)13(11)16/h6-8H,16H2,1-5H3
InChIKeyWBROBDWYOVXHTJ-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate?
The IUPAC name of methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate (CID 10826326) is methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate is COC(=O)c1c(C(C)C)n(C)c2ccc(OC)c(N)c12.
What is the InChIKey of methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate?
The InChIKey is WBROBDWYOVXHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8(2)14-12(15(18)20-5)11-9(17(14)3)6-7-10(19-4)13(11)16/h6-8H,16H2,1-5H3.
What are the key properties of methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate?
methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-methoxy-1-methyl-2-propan-2-ylindole-3-carboxylate is sourced from PubChem (CID 10826326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).