methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride

C21H25ClN2O5 — CID 71459012

IUPACmethyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc21.Cl
InChIInChI=1S/C21H24N2O5.ClH/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17;/h5-10,12,14,22H,4,11,13H2,1-3H3;1H
InChIKeyWRDDIIBXFGMMIR-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.21
Rot. Bonds6

About methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride

methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride (PubChem CID 71459012) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
PubChem CID71459012
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Namemethyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc21.Cl
InChIInChI=1S/C21H24N2O5.ClH/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17;/h5-10,12,14,22H,4,11,13H2,1-3H3;1H
InChIKeyWRDDIIBXFGMMIR-UHFFFAOYSA-N
XLogP4.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride with MolForge

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Related Compounds

16-Methoxytabersonine
CID 443356
3-[4-[4-(3-Methoxyphenyl)piperazin-1-yl]butyl]-1,3-dihydroindol-2-one
CID 11545363
2,3-dihydro-1H-indol-4-yl N-ethyl-N-methylcarbamate;hydrochloride
CID 71449998
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride
CID 71459014
methyl 3-[7-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 71459015
Methyl 3-[6-[ethyl(methyl)carbamoyl]oxy-2,3-dihydroindol-1-yl]propanoate;hydrochloride
CID 71459016
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
N-(4-methoxyphenyl)-2-[(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
CID 46902759
3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
CID 71459006
[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
CID 90656344

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride (CID 71459012) is methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride is COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc21.Cl.
What is the InChIKey of methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
The InChIKey is WRDDIIBXFGMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5.ClH/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17;/h5-10,12,14,22H,4,11,13H2,1-3H3;1H.
What are the key properties of methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride?
methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride has a molecular weight of 420.89 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 71459012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).