methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride

C18H27ClN2O3 — CID 3060289

IUPACmethyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1c(OC(C)C)c2cc(C)ccc2n1CCN(C)C.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(2)23-17-14-11-13(3)7-8-15(14)20(10-9-19(4)5)16(17)18(21)22-6;/h7-8,11-12H,9-10H2,1-6H3;1H
InChIKeyOMVGMFFRMLHKSB-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.51
Rot. Bonds6

About methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride

methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride (PubChem CID 3060289) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride
PubChem CID3060289
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Namemethyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1c(OC(C)C)c2cc(C)ccc2n1CCN(C)C.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-12(2)23-17-14-11-13(3)7-8-15(14)20(10-9-19(4)5)16(17)18(21)22-6;/h7-8,11-12H,9-10H2,1-6H3;1H
InChIKeyOMVGMFFRMLHKSB-UHFFFAOYSA-N
XLogP3.51
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride (CID 3060289) is methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride is COC(=O)c1c(OC(C)C)c2cc(C)ccc2n1CCN(C)C.Cl.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride?
The InChIKey is OMVGMFFRMLHKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-12(2)23-17-14-11-13(3)7-8-15(14)20(10-9-19(4)5)16(17)18(21)22-6;/h7-8,11-12H,9-10H2,1-6H3;1H.
What are the key properties of methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride?
methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethyl]-5-methyl-3-propan-2-yloxyindole-2-carboxylate;hydrochloride is sourced from PubChem (CID 3060289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).