tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate

C20H22Br2N2O2 — CID 90220378

IUPACtert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H22Br2N2O2/c1-20(2,3)26-19(25)23-9-4-10-24-17-11-13(21)5-7-15(17)16-8-6-14(22)12-18(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyQGBKRCWKOKXUOJ-UHFFFAOYSA-N
MW482.22 g/mol
LogP6.23
Rot. Bonds4

About tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate

tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate (PubChem CID 90220378) has the molecular formula C20H22Br2N2O2 and a molecular weight of 482.22 g/mol. Its IUPAC name is tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
PubChem CID90220378
Molecular FormulaC20H22Br2N2O2
Molecular Weight482.22 g/mol
Exact Mass480.00
IUPAC Nametert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H22Br2N2O2/c1-20(2,3)26-19(25)23-9-4-10-24-17-11-13(21)5-7-15(17)16-8-6-14(22)12-18(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,25)
InChIKeyQGBKRCWKOKXUOJ-UHFFFAOYSA-N
XLogP6.23
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.22
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[3-[1-(5-bromo-2-fluorophenyl)ethylamino]propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate (CID 90220378) is tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate?
The InChIKey is QGBKRCWKOKXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Br2N2O2/c1-20(2,3)26-19(25)23-9-4-10-24-17-11-13(21)5-7-15(17)16-8-6-14(22)12-18(16)24/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,25).
What are the key properties of tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate?
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate has a molecular weight of 482.22 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate is sourced from PubChem (CID 90220378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).