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

C15H21NO4 — CID 84730383

IUPACtert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C=O)c1ccccc1O
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-9-15(4,10-17)11-7-5-6-8-12(11)18/h5-8,10,18H,9H2,1-4H3,(H,16,19)
InChIKeyMBEXBCMSYSZZSB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.37
Rot. Bonds4

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

tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate (PubChem CID 84730383) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
PubChem CID84730383
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C=O)c1ccccc1O
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-9-15(4,10-17)11-7-5-6-8-12(11)18/h5-8,10,18H,9H2,1-4H3,(H,16,19)
InChIKeyMBEXBCMSYSZZSB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-[(2-fluorophenyl)methyl]-2-methyl-3-oxopropyl]carbamate
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tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
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tert-butyl N-[3-(2,2-dimethylpropylamino)-2,2-diphenylpropyl]carbamate
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2-cyclopropyl-2-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
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[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate (CID 84730383) is tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(C=O)c1ccccc1O.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
The InChIKey is MBEXBCMSYSZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-9-15(4,10-17)11-7-5-6-8-12(11)18/h5-8,10,18H,9H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate?
tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyphenyl)-2-methyl-3-oxopropyl]carbamate is sourced from PubChem (CID 84730383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).