tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate

C19H28N2O2 — CID 58088300

IUPACtert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCC1=Nc2ccccc2C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-13-9-5-4-6-11-16-14-15-10-7-8-12-17(15)21-16/h7-8,10,12H,4-6,9,11,13-14H2,1-3H3,(H,20,22)
InChIKeyZLASUYZSJGVTMN-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.79
Rot. Bonds7

About tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate

tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate (PubChem CID 58088300) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate
PubChem CID58088300
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCC1=Nc2ccccc2C1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-13-9-5-4-6-11-16-14-15-10-7-8-12-17(15)21-16/h7-8,10,12H,4-6,9,11,13-14H2,1-3H3,(H,20,22)
InChIKeyZLASUYZSJGVTMN-UHFFFAOYSA-N
XLogP4.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.79
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

tert-butyl N-(2-(2,3-dihydro-1H-indol-3-yl)ethyl)carbamate
CID 394091
tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 4409487
tert-butyl N-[(4-aminophenyl)methyl]carbamate
CID 2756041
Tert-butyl 4-aminophenethylcarbamate
CID 382207
tert-butyl N-((3-aminophenyl)methyl)carbamate
CID 10775412
tert-butyl N-[1-(4-aminophenyl)ethyl]carbamate
CID 22569414
tert-butyl N-(2-(3-aminophenyl)ethyl)carbamate
CID 22674099
(R)-[1-(4-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester
CID 10633571
tert-Butyl (S)-(1-(4-aminophenyl)ethyl)carbamate
CID 10776210
tert-butyl N-[2-(2-aminophenyl)ethyl]carbamate
CID 17912990
tert-butyl N-[(3-amino-2-methylphenyl)methyl]carbamate
CID 22170260
tert-butyl N-[(2-aminophenyl)methyl]-N-methylcarbamate
CID 25180534

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate (CID 58088300) is tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCC1=Nc2ccccc2C1.
What is the InChIKey of tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate?
The InChIKey is ZLASUYZSJGVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-13-9-5-4-6-11-16-14-15-10-7-8-12-17(15)21-16/h7-8,10,12H,4-6,9,11,13-14H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate?
tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(3H-indol-2-yl)hexyl]carbamate is sourced from PubChem (CID 58088300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).