(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate

C11H13NO4 — CID 163320495

IUPAC(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
SMILESCC(=O)c1ccc(OC(=O)N(C)C)cc1O
InChIInChI=1S/C11H13NO4/c1-7(13)9-5-4-8(6-10(9)14)16-11(15)12(2)3/h4-6,14H,1-3H3
InChIKeyVDVWXQLYVOBOBO-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.66
Rot. Bonds2

About (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate

(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate (PubChem CID 163320495) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
PubChem CID163320495
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
SMILESCC(=O)c1ccc(OC(=O)N(C)C)cc1O
InChIInChI=1S/C11H13NO4/c1-7(13)9-5-4-8(6-10(9)14)16-11(15)12(2)3/h4-6,14H,1-3H3
InChIKeyVDVWXQLYVOBOBO-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691
[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 11011847
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
CID 22971769
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
CID 91620245

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate (CID 163320495) is (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate is CC(=O)c1ccc(OC(=O)N(C)C)cc1O.
What is the InChIKey of (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate?
The InChIKey is VDVWXQLYVOBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)9-5-4-8(6-10(9)14)16-11(15)12(2)3/h4-6,14H,1-3H3.
What are the key properties of (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate?
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate has a molecular weight of 223.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 163320495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).