methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate

C19H20N2O3 — CID 59831847

IUPACmethylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
SMILESCNOC(=O)CC(c1ccccc1)c1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-20-24-19(22)12-16(13-6-4-3-5-7-13)14-10-17-15(8-9-21-17)18(11-14)23-2/h3-11,16,20-21H,12H2,1-2H3
InChIKeyZKLLPSKIEVTYSC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.38
Rot. Bonds6

About methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate

methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate (PubChem CID 59831847) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
PubChem CID59831847
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namemethylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate
SMILESCNOC(=O)CC(c1ccccc1)c1cc(OC)c2cc[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-20-24-19(22)12-16(13-6-4-3-5-7-13)14-10-17-15(8-9-21-17)18(11-14)23-2/h3-11,16,20-21H,12H2,1-2H3
InChIKeyZKLLPSKIEVTYSC-UHFFFAOYSA-N
XLogP3.38
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The IUPAC name of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate (CID 59831847) is methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate.
What is the SMILES notation for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The canonical SMILES for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate is CNOC(=O)CC(c1ccccc1)c1cc(OC)c2cc[nH]c2c1.
What is the InChIKey of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
The InChIKey is ZKLLPSKIEVTYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-24-19(22)12-16(13-6-4-3-5-7-13)14-10-17-15(8-9-21-17)18(11-14)23-2/h3-11,16,20-21H,12H2,1-2H3.
What are the key properties of methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate?
methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate has a molecular weight of 324.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 3-(4-methoxy-1H-indol-6-yl)-3-phenylpropanoate is sourced from PubChem (CID 59831847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).