tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate

C20H25NO4 — CID 122360905

IUPACtert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(24)21-17(13-22)18(14-7-5-4-6-8-14)15-9-11-16(23)12-10-15/h4-12,17-18,22-23H,13H2,1-3H3,(H,21,24)
InChIKeyRPNZOSZEPAPBNH-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate (PubChem CID 122360905) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
PubChem CID122360905
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(24)21-17(13-22)18(14-7-5-4-6-8-14)15-9-11-16(23)12-10-15/h4-12,17-18,22-23H,13H2,1-3H3,(H,21,24)
InChIKeyRPNZOSZEPAPBNH-UHFFFAOYSA-N
XLogP3.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(2S,3S)-1-hydroxy-3-phenylmethoxypent-4-en-2-yl]carbamate
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tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
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tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
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tert-butyl N-[(2S,3R)-1-hydroxy-3-methoxy-5-phenylpent-4-yn-2-yl]carbamate
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benzhydryl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate (CID 122360905) is tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate?
The InChIKey is RPNZOSZEPAPBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(24)21-17(13-22)18(14-7-5-4-6-8-14)15-9-11-16(23)12-10-15/h4-12,17-18,22-23H,13H2,1-3H3,(H,21,24).
What are the key properties of tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-(4-hydroxyphenyl)-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 122360905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).