tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate

C22H26N4O4 — CID 141319994

IUPACtert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(-c2ccccc2)c2[nH]c(C(=O)NN)cc12
InChIInChI=1S/C22H26N4O4/c1-22(2,3)30-21(28)24-11-12-29-18-10-9-15(14-7-5-4-6-8-14)19-16(18)13-17(25-19)20(27)26-23/h4-10,13,25H,11-12,23H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyBSOLJRGPDXRGPY-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.34
Rot. Bonds6

About tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate

tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate (PubChem CID 141319994) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate
PubChem CID141319994
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Nametert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc(-c2ccccc2)c2[nH]c(C(=O)NN)cc12
InChIInChI=1S/C22H26N4O4/c1-22(2,3)30-21(28)24-11-12-29-18-10-9-15(14-7-5-4-6-8-14)19-16(18)13-17(25-19)20(27)26-23/h4-10,13,25H,11-12,23H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyBSOLJRGPDXRGPY-UHFFFAOYSA-N
XLogP3.34
TPSA118.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 176654089
3-(3,4-difluorophenyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
CID 122623429
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
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tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate (CID 141319994) is tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc(-c2ccccc2)c2[nH]c(C(=O)NN)cc12.
What is the InChIKey of tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate?
The InChIKey is BSOLJRGPDXRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-22(2,3)30-21(28)24-11-12-29-18-10-9-15(14-7-5-4-6-8-14)19-16(18)13-17(25-19)20(27)26-23/h4-10,13,25H,11-12,23H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate?
tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate has a molecular weight of 410.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 141319994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).