tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate

C20H31N3O3 — CID 25171083

IUPACtert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate
SMILESCCN(CC)CCOc1c(C)n(C(=O)OC(C)(C)C)c2ccc(N)cc12
InChIInChI=1S/C20H31N3O3/c1-7-22(8-2)11-12-25-18-14(3)23(19(24)26-20(4,5)6)17-10-9-15(21)13-16(17)18/h9-10,13H,7-8,11-12,21H2,1-6H3
InChIKeyIBNZXUPDFYPEJQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.04
Rot. Bonds6

About tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate

tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate (PubChem CID 25171083) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate
PubChem CID25171083
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Nametert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate
SMILESCCN(CC)CCOc1c(C)n(C(=O)OC(C)(C)C)c2ccc(N)cc12
InChIInChI=1S/C20H31N3O3/c1-7-22(8-2)11-12-25-18-14(3)23(19(24)26-20(4,5)6)17-10-9-15(21)13-16(17)18/h9-10,13H,7-8,11-12,21H2,1-6H3
InChIKeyIBNZXUPDFYPEJQ-UHFFFAOYSA-N
XLogP4.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
tert-butyl 3-formyl-2,5-dimethylindole-1-carboxylate
CID 118084216
tert-butyl 6-amino-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate
CID 162715858
1-O-tert-butyl 2-O-ethyl 5-O-methyl 3-aminoindole-1,2,5-tricarboxylate
CID 171805338
tert-butyl 5-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indazole-1-carboxylate
CID 131846569
tert-butyl (3,5-diaminoindazol-1-yl) carbonate
CID 68844686
5-[2,1,3-benzothiadiazol-4-ylsulfonyl(hexyl)amino]-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylic acid
CID 67175916
tert-butyl 5-amino-2-(4-methoxyphenyl)benzimidazole-1-carboxylate
CID 139827234
tert-butyl 3-bromo-6-methylcarbazole-9-carboxylate
CID 21072274
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
[4,5-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
CID 131364457
1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
CID 133055982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate (CID 25171083) is tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate is CCN(CC)CCOc1c(C)n(C(=O)OC(C)(C)C)c2ccc(N)cc12.
What is the InChIKey of tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate?
The InChIKey is IBNZXUPDFYPEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-7-22(8-2)11-12-25-18-14(3)23(19(24)26-20(4,5)6)17-10-9-15(21)13-16(17)18/h9-10,13H,7-8,11-12,21H2,1-6H3.
What are the key properties of tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate?
tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3-[2-(diethylamino)ethoxy]-2-methylindole-1-carboxylate is sourced from PubChem (CID 25171083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).