[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

C20H20N2O4 — CID 7889038

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O4/c1-22(12-14-7-3-6-10-18(14)25-2)19(23)13-26-20(24)16-11-21-17-9-5-4-8-15(16)17/h3-11,21H,12-13H2,1-2H3
InChIKeyIYJHWDCGHQCVIQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.99
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7889038) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7889038
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N2O4/c1-22(12-14-7-3-6-10-18(14)25-2)19(23)13-26-20(24)16-11-21-17-9-5-4-8-15(16)17/h3-11,21H,12-13H2,1-2H3
InChIKeyIYJHWDCGHQCVIQ-UHFFFAOYSA-N
XLogP2.99
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648687
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664239
(2,5-dimethoxyphenyl)methyl 1H-indole-3-carboxylate
CID 8644175
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7433762
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 110733094
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 7560253
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
[4-(N-methylanilino)-2,4-dioxobutyl] 1H-indole-3-carboxylate
CID 146186343

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate (CID 7889038) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is COc1ccccc1CN(C)C(=O)COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is IYJHWDCGHQCVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22(12-14-7-3-6-10-18(14)25-2)19(23)13-26-20(24)16-11-21-17-9-5-4-8-15(16)17/h3-11,21H,12-13H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7889038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).