tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate

C15H21NO4 — CID 174419381

IUPACtert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-10(9-16-14(19)20-15(2,3)4)13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,9H2,1-4H3,(H,16,19)
InChIKeyRULPBAKGPZZULX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate

tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate (PubChem CID 174419381) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
PubChem CID174419381
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)C(=O)c1ccc(O)cc1
InChIInChI=1S/C15H21NO4/c1-10(9-16-14(19)20-15(2,3)4)13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,9H2,1-4H3,(H,16,19)
InChIKeyRULPBAKGPZZULX-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[2-methyl-3-oxo-3-(1,2-thiazol-4-yl)propyl]carbamate
CID 165465123
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[1-[2-[(4-hydroxybenzoyl)amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 55869614
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
2-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 20564816
ethane;(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 158437158
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
tert-butyl N-[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]carbamate
CID 154958411
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 90813928
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate (CID 174419381) is tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate is CC(CNC(=O)OC(C)(C)C)C(=O)c1ccc(O)cc1.
What is the InChIKey of tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The InChIKey is RULPBAKGPZZULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(9-16-14(19)20-15(2,3)4)13(18)11-5-7-12(17)8-6-11/h5-8,10,17H,9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate is sourced from PubChem (CID 174419381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).