methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate

C16H21ClN2O3 — CID 57081064

IUPACmethyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate
SMILESCCOc1c(C(=O)OC)n(CC(C)(C)N)c2ccc(Cl)cc12
InChIInChI=1S/C16H21ClN2O3/c1-5-22-14-11-8-10(17)6-7-12(11)19(9-16(2,3)18)13(14)15(20)21-4/h6-8H,5,9,18H2,1-4H3
InChIKeyJOHCFHPMBYASMU-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.22
Rot. Bonds5

About methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate

methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate (PubChem CID 57081064) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate
PubChem CID57081064
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Namemethyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate
SMILESCCOc1c(C(=O)OC)n(CC(C)(C)N)c2ccc(Cl)cc12
InChIInChI=1S/C16H21ClN2O3/c1-5-22-14-11-8-10(17)6-7-12(11)19(9-16(2,3)18)13(14)15(20)21-4/h6-8H,5,9,18H2,1-4H3
InChIKeyJOHCFHPMBYASMU-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
CID 3060291
methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-phenoxyindole-2-carboxylate
CID 146173906
methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-[4-(2-methoxyethoxymethoxy)phenoxy]indole-2-carboxylate
CID 146173905
methyl 5-chloro-1-(4-fluorophenyl)-3-(2-methoxy-2-oxoethoxy)indole-2-carboxylate
CID 10572560
bis[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(4-chlorophenyl)methyl]-3-phenylmethoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158744648
bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-hydroxyindole-2-carboxylate;methyl 5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methoxyindole-2-carboxylate;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158142772
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
methyl 5-chloro-2-(chloromethyl)-1-methylindole-3-carboxylate
CID 58771143
ethyl 7-chloro-4-methyl-5-oxoimidazo[1,5-a]quinazoline-3-carboxylate
CID 44561388
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-3-hydroxyindole-2-carboxylate
CID 146173969
methyl 1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindole-2-carboxylate
CID 15678784
methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
CID 75524036

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate (CID 57081064) is methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate is CCOc1c(C(=O)OC)n(CC(C)(C)N)c2ccc(Cl)cc12.
What is the InChIKey of methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate?
The InChIKey is JOHCFHPMBYASMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-5-22-14-11-8-10(17)6-7-12(11)19(9-16(2,3)18)13(14)15(20)21-4/h6-8H,5,9,18H2,1-4H3.
What are the key properties of methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate?
methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate has a molecular weight of 324.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-methylpropyl)-5-chloro-3-ethoxyindole-2-carboxylate is sourced from PubChem (CID 57081064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).