tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate

C17H24FN3O2 — CID 67394852

IUPACtert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H24FN3O2/c1-17(2,3)23-16(22)20-9-8-19-7-6-12-11-21-15-5-4-13(18)10-14(12)15/h4-5,10-11,19,21H,6-9H2,1-3H3,(H,20,22)
InChIKeyFHBNGZQBXNOESF-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.96
Rot. Bonds6

About tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate

tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate (PubChem CID 67394852) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
PubChem CID67394852
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H24FN3O2/c1-17(2,3)23-16(22)20-9-8-19-7-6-12-11-21-15-5-4-13(18)10-14(12)15/h4-5,10-11,19,21H,6-9H2,1-3H3,(H,20,22)
InChIKeyFHBNGZQBXNOESF-UHFFFAOYSA-N
XLogP2.96
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
CID 57379273
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl 4-[[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111972126
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate (CID 67394852) is tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate?
The InChIKey is FHBNGZQBXNOESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-17(2,3)23-16(22)20-9-8-19-7-6-12-11-21-15-5-4-13(18)10-14(12)15/h4-5,10-11,19,21H,6-9H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate?
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate has a molecular weight of 321.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 67394852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).