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

C18H24N2O3 — CID 57379273

IUPACtert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
SMILESC=CCOc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H24N2O3/c1-5-10-22-14-6-7-16-15(11-14)13(12-20-16)8-9-19-17(21)23-18(2,3)4/h5-7,11-12,20H,1,8-10H2,2-4H3,(H,19,21)
InChIKeyVMOYTYGOBNNRHI-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.80
Rot. Bonds6

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

tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 57379273) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID57379273
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate
SMILESC=CCOc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C18H24N2O3/c1-5-10-22-14-6-7-16-15(11-14)13(12-20-16)8-9-19-17(21)23-18(2,3)4/h5-7,11-12,20H,1,8-10H2,2-4H3,(H,19,21)
InChIKeyVMOYTYGOBNNRHI-UHFFFAOYSA-N
XLogP3.80
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-prop-2-enoxy-1H-indol-3-yl)propanoate
CID 138482456
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
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tert-butyl N-[2-[5-(4-benzoylphenyl)-1H-indol-3-yl]ethyl]carbamate
CID 70053183
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
tert-butyl N-[2-[5-[[(2-methyl-1,2,4-triazol-3-yl)amino]methyl]-1H-indol-3-yl]ethyl]carbamate
CID 19970909
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027
tert-butyl N-[2-[5-[(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 10430739
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
N-[2-[5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indol-3-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate (CID 57379273) is tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate is C=CCOc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is VMOYTYGOBNNRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-10-22-14-6-7-16-15(11-14)13(12-20-16)8-9-19-17(21)23-18(2,3)4/h5-7,11-12,20H,1,8-10H2,2-4H3,(H,19,21).
What are the key properties of tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-prop-2-enoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 57379273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).