tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate

C13H17NO4 — CID 18782933

IUPACtert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C13H17NO4/c1-8(15)10-7-9(5-6-11(10)16)14-12(17)18-13(2,3)4/h5-7,16H,1-4H3,(H,14,17)
InChIKeyLKTLHZHEOLHJRB-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate

tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate (PubChem CID 18782933) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
PubChem CID18782933
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Nametert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate
SMILESCC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O
InChIInChI=1S/C13H17NO4/c1-8(15)10-7-9(5-6-11(10)16)14-12(17)18-13(2,3)4/h5-7,16H,1-4H3,(H,14,17)
InChIKeyLKTLHZHEOLHJRB-UHFFFAOYSA-N
XLogP2.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
tert-butyl N-[4-hydroxy-3-(2-phenylethylcarbamoyl)phenyl]carbamate
CID 10665956
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamic acid
CID 121000540
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
(2S)-2-[[2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 178029879
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate (CID 18782933) is tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate is CC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O.
What is the InChIKey of tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate?
The InChIKey is LKTLHZHEOLHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(15)10-7-9(5-6-11(10)16)14-12(17)18-13(2,3)4/h5-7,16H,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate?
tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate has a molecular weight of 251.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-acetyl-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 18782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).