benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate

C18H18N2O3 — CID 24741909

IUPACbenzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate
SMILESO=C(NCCC1C(=O)Nc2ccccc21)OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-15(14-8-4-5-9-16(14)20-17)10-11-19-18(22)23-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,22)(H,20,21)
InChIKeyJXMARPPUCHEAQG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.04
Rot. Bonds5

About benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate

benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate (PubChem CID 24741909) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate
PubChem CID24741909
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namebenzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate
SMILESO=C(NCCC1C(=O)Nc2ccccc21)OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-15(14-8-4-5-9-16(14)20-17)10-11-19-18(22)23-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,22)(H,20,21)
InChIKeyJXMARPPUCHEAQG-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate (CID 24741909) is benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate is O=C(NCCC1C(=O)Nc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate?
The InChIKey is JXMARPPUCHEAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-15(14-8-4-5-9-16(14)20-17)10-11-19-18(22)23-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate?
benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 24741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).