methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride

C16H23ClN2O4 — CID 71459016

IUPACmethyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)N(CCC(=O)OC)CC2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3;/h5-6,11H,4,7-10H2,1-3H3;1H
InChIKeyVAEXNFTZJHEBJB-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.48
Rot. Bonds5

About methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride

methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride (PubChem CID 71459016) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
PubChem CID71459016
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Namemethyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
SMILESCCN(C)C(=O)Oc1ccc2c(c1)N(CCC(=O)OC)CC2.Cl
InChIInChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3;/h5-6,11H,4,7-10H2,1-3H3;1H
InChIKeyVAEXNFTZJHEBJB-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-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride with MolForge

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Related Compounds

2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride
CID 71449998
2,3-dihydro-1H-indol-4-yl N,N-dimethylcarbamate;hydrochloride
CID 71453643
methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71461080
Methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
CID 71462531
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
CID 71535147
1-(6-methoxy-2,3-dihydroindol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 90254453
[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
CID 90656344
[1-[3-(dimethylamino)propyl]-2,3-dihydroindol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
CID 90656348
Methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71449996
Methyl 3-[4-[ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71451820
Methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71453641
3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
CID 71457140

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride (CID 71459016) is methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride is CCN(C)C(=O)Oc1ccc2c(c1)N(CCC(=O)OC)CC2.Cl.
What is the InChIKey of methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
The InChIKey is VAEXNFTZJHEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.ClH/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3;/h5-6,11H,4,7-10H2,1-3H3;1H.
What are the key properties of methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride?
methyl 3-[6-[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-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride is sourced from PubChem (CID 71459016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).