tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate

C20H23NO3 — CID 134851281

IUPACtert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Oc1ccccc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(22)21-18-16-12-8-7-9-14(16)13-17(18)23-15-10-5-4-6-11-15/h4-12,17-18H,13H2,1-3H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyQTGZATUIMGJFOK-ZWKOTPCHSA-N
MW325.41 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 134851281) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID134851281
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nametert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Oc1ccccc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)24-19(22)21-18-16-12-8-7-9-14(16)13-17(18)23-15-10-5-4-6-11-15/h4-12,17-18H,13H2,1-3H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyQTGZATUIMGJFOK-ZWKOTPCHSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 134851281) is tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@@H]1Oc1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is QTGZATUIMGJFOK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)24-19(22)21-18-16-12-8-7-9-14(16)13-17(18)23-15-10-5-4-6-11-15/h4-12,17-18H,13H2,1-3H3,(H,21,22)/t17-,18+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-phenoxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 134851281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).