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

C18H24N2O3 — CID 168996714

IUPACtert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate
SMILESC=CCC1(CCNC(=O)OC(C)(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-5-10-18(11-12-19-16(22)23-17(2,3)4)13-8-6-7-9-14(13)20-15(18)21/h5-9H,1,10-12H2,2-4H3,(H,19,22)(H,20,21)
InChIKeyBUYSJFHXPBTREL-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.37
Rot. Bonds5

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

tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 168996714) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID168996714
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate
SMILESC=CCC1(CCNC(=O)OC(C)(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-5-10-18(11-12-19-16(22)23-17(2,3)4)13-8-6-7-9-14(13)20-15(18)21/h5-9H,1,10-12H2,2-4H3,(H,19,22)(H,20,21)
InChIKeyBUYSJFHXPBTREL-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.37
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

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CID 122220537
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tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
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CID 72662430
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxo-3-phenylmethoxy-1H-indol-3-yl)carbamate
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1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
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tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
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tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
tert-butyl N-[[(2R)-4-benzoyl-3-oxo-2-prop-2-enylpiperazin-2-yl]methyl]carbamate
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tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
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tert-butyl N-[2-[(12aS)-12-oxoindolo[1,2-c]quinazolin-12a-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate (CID 168996714) is tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate is C=CCC1(CCNC(=O)OC(C)(C)C)C(=O)Nc2ccccc21.
What is the InChIKey of tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is BUYSJFHXPBTREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-10-18(11-12-19-16(22)23-17(2,3)4)13-8-6-7-9-14(13)20-15(18)21/h5-9H,1,10-12H2,2-4H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 168996714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).