[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C12H15NO4 — CID 7567601

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C)C)c(O)c1
InChIInChI=1S/C12H15NO4/c1-8-4-5-9(10(14)6-8)12(16)17-7-11(15)13(2)3/h4-6,14H,7H2,1-3H3
InChIKeyHCGNJFGIQUYRNF-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.95
Rot. Bonds3

About [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 7567601) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID7567601
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)N(C)C)c(O)c1
InChIInChI=1S/C12H15NO4/c1-8-4-5-9(10(14)6-8)12(16)17-7-11(15)13(2)3/h4-6,14H,7H2,1-3H3
InChIKeyHCGNJFGIQUYRNF-UHFFFAOYSA-N
XLogP0.95
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771227
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
[2-(dimethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768625
amino 2-hydroxy-4-methylbenzoate
CID 174368722
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611850
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 8945248
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-4-methylbenzoate
CID 7568498
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581768
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 7567601) is [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)N(C)C)c(O)c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is HCGNJFGIQUYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-4-5-9(10(14)6-8)12(16)17-7-11(15)13(2)3/h4-6,14H,7H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 237.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7567601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).