methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride

C16H23ClN2O4 — CID 71459014

IUPACmethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3;/h5-7,11,17H,4,8-10H2,1-3H3;1H
InChIKeyVVXDWCFPUVRIPU-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride

methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride (PubChem CID 71459014) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
PubChem CID71459014
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Namemethyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3;/h5-7,11,17H,4,8-10H2,1-3H3;1H
InChIKeyVVXDWCFPUVRIPU-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride (CID 71459014) is methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1NCC2CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The InChIKey is VVXDWCFPUVRIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.ClH/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3;/h5-7,11,17H,4,8-10H2,1-3H3;1H.
What are the key properties of methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride has a molecular weight of 342.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 71459014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).