benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate

C23H19NO4 — CID 53388428

IUPACbenzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate
SMILESO=C(N[C@]1(c2ccccc2)C(=O)c2ccccc2[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C23H19NO4/c25-20-18-13-7-8-14-19(18)21(26)23(20,17-11-5-2-6-12-17)24-22(27)28-15-16-9-3-1-4-10-16/h1-14,20,25H,15H2,(H,24,27)/t20-,23-/m0/s1
InChIKeyMCLCCUKNZKLJNZ-REWPJTCUSA-N
MW373.41 g/mol
LogP3.74
Rot. Bonds4

About benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate

benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate (PubChem CID 53388428) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate
PubChem CID53388428
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namebenzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate
SMILESO=C(N[C@]1(c2ccccc2)C(=O)c2ccccc2[C@@H]1O)OCc1ccccc1
InChIInChI=1S/C23H19NO4/c25-20-18-13-7-8-14-19(18)21(26)23(20,17-11-5-2-6-12-17)24-22(27)28-15-16-9-3-1-4-10-16/h1-14,20,25H,15H2,(H,24,27)/t20-,23-/m0/s1
InChIKeyMCLCCUKNZKLJNZ-REWPJTCUSA-N
XLogP3.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate?
The IUPAC name of benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate (CID 53388428) is benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate is O=C(N[C@]1(c2ccccc2)C(=O)c2ccccc2[C@@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate?
The InChIKey is MCLCCUKNZKLJNZ-REWPJTCUSA-N. The full InChI is InChI=1S/C23H19NO4/c25-20-18-13-7-8-14-19(18)21(26)23(20,17-11-5-2-6-12-17)24-22(27)28-15-16-9-3-1-4-10-16/h1-14,20,25H,15H2,(H,24,27)/t20-,23-/m0/s1.
What are the key properties of benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate?
benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S)-1-hydroxy-3-oxo-2-phenyl-1H-inden-2-yl]carbamate is sourced from PubChem (CID 53388428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).