ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate

C18H19NO3 — CID 101189373

IUPACethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate
SMILESCCOC(=O)N[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-22-17(20)19-16-12-13-8-6-7-11-15(13)18(16,21)14-9-4-3-5-10-14/h3-11,16,21H,2,12H2,1H3,(H,19,20)/t16-,18-/m0/s1
InChIKeyNUWBXLPELCAYBK-WMZOPIPTSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds3

About ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate

ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate (PubChem CID 101189373) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate
PubChem CID101189373
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate
SMILESCCOC(=O)N[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-22-17(20)19-16-12-13-8-6-7-11-15(13)18(16,21)14-9-4-3-5-10-14/h3-11,16,21H,2,12H2,1H3,(H,19,20)/t16-,18-/m0/s1
InChIKeyNUWBXLPELCAYBK-WMZOPIPTSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate (CID 101189373) is ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate is CCOC(=O)N[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate?
The InChIKey is NUWBXLPELCAYBK-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-22-17(20)19-16-12-13-8-6-7-11-15(13)18(16,21)14-9-4-3-5-10-14/h3-11,16,21H,2,12H2,1H3,(H,19,20)/t16-,18-/m0/s1.
What are the key properties of ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate?
ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S,3S)-3-hydroxy-3-phenyl-1,2-dihydroinden-2-yl]carbamate is sourced from PubChem (CID 101189373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).