tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate

C16H23NO4 — CID 130642262

IUPACtert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@H](C(C)(C)O)O2
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-6-7-12-10(8-11)9-13(20-12)16(4,5)19/h6-8,13,19H,9H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyDLOMETBXALJAHF-ZDUSSCGKSA-N
MW293.36 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate

tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate (PubChem CID 130642262) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
PubChem CID130642262
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@H](C(C)(C)O)O2
InChIInChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-6-7-12-10(8-11)9-13(20-12)16(4,5)19/h6-8,13,19H,9H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyDLOMETBXALJAHF-ZDUSSCGKSA-N
XLogP3.11
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-chromen-2-yl]acetate
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2-[5-(3-hydroxyprop-1-enyl)-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
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tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
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tert-butyl N-(5H-chromeno[3,4-c]pyridin-8-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate (CID 130642262) is tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc2c(c1)C[C@@H](C(C)(C)O)O2.
What is the InChIKey of tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate?
The InChIKey is DLOMETBXALJAHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO4/c1-15(2,3)21-14(18)17-11-6-7-12-10(8-11)9-13(20-12)16(4,5)19/h6-8,13,19H,9H2,1-5H3,(H,17,18)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate?
tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]carbamate is sourced from PubChem (CID 130642262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).