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

C17H25ClN2O4 — CID 71451820

IUPACmethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4;/h6-8,12H,5,9-11H2,1-4H3;1H
InChIKeyLMUIGNVZNKCFIM-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.05
Rot. Bonds5

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

methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (PubChem CID 71451820) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
PubChem CID71451820
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Namemethyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4;/h6-8,12H,5,9-11H2,1-4H3;1H
InChIKeyLMUIGNVZNKCFIM-UHFFFAOYSA-N
XLogP3.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride (CID 71451820) is methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is CCN(C)C(=O)Oc1cccc2c1C(CCC(=O)OC)CN2C.Cl.
What is the InChIKey of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
The InChIKey is LMUIGNVZNKCFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4;/h6-8,12H,5,9-11H2,1-4H3;1H.
What are the key properties of methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride?
methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 3.05, 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-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 71451820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).