methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride

C16H23ClN2O4 — CID 71462531

IUPACmethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2CCC(=O)OC.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3;/h5-7H,4,8-11H2,1-3H3;1H
InChIKeyQAXOVWJBIIWDPM-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.48
Rot. Bonds5

About methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride

methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride (PubChem CID 71462531) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
PubChem CID71462531
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Namemethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1CCN2CCC(=O)OC.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3;/h5-7H,4,8-11H2,1-3H3;1H
InChIKeyQAXOVWJBIIWDPM-UHFFFAOYSA-N
XLogP2.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride (CID 71462531) is methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1CCN2CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The InChIKey is QAXOVWJBIIWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3;/h5-7H,4,8-11H2,1-3H3;1H.
What are the key properties of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride is sourced from PubChem (CID 71462531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).