tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate

C21H30N2O5 — CID 23544630

IUPACtert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate
SMILESCN(CCOc1cccc2ccn(C(=O)OC(C)(C)C)c12)C(=O)OC(C)(C)C
InChIInChI=1S/C21H30N2O5/c1-20(2,3)27-18(24)22(7)13-14-26-16-10-8-9-15-11-12-23(17(15)16)19(25)28-21(4,5)6/h8-12H,13-14H2,1-7H3
InChIKeyVZGBSGWAPNXRJG-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.67
Rot. Bonds4

About tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate

tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate (PubChem CID 23544630) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate
PubChem CID23544630
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Nametert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate
SMILESCN(CCOc1cccc2ccn(C(=O)OC(C)(C)C)c12)C(=O)OC(C)(C)C
InChIInChI=1S/C21H30N2O5/c1-20(2,3)27-18(24)22(7)13-14-26-16-10-8-9-15-11-12-23(17(15)16)19(25)28-21(4,5)6/h8-12H,13-14H2,1-7H3
InChIKeyVZGBSGWAPNXRJG-UHFFFAOYSA-N
XLogP4.67
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 7-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]indole-1-carboxylate
CID 69367584
ethane;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-7-yl]boronic acid
CID 91274571
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl 7-chloropyrrolo[2,3-c]pyridine-1-carboxylate
CID 155294375
tert-butyl N-[2-[4-bromo-2-(trifluoromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 67294198
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]-N-methylcarbamate
CID 86627416
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
tert-butyl N-[2-(2,5-difluoro-4-formylphenoxy)ethyl]-N-methylcarbamate
CID 157021850
tert-butyl N-[2-[(6-cyano-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86814417
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate?
The IUPAC name of tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate (CID 23544630) is tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate is CN(CCOc1cccc2ccn(C(=O)OC(C)(C)C)c12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate?
The InChIKey is VZGBSGWAPNXRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-20(2,3)27-18(24)22(7)13-14-26-16-10-8-9-15-11-12-23(17(15)16)19(25)28-21(4,5)6/h8-12H,13-14H2,1-7H3.
What are the key properties of tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate?
tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]indole-1-carboxylate is sourced from PubChem (CID 23544630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).