[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

C17H25NO4 — CID 18078321

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)N(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C17H25NO4/c1-10(2)12-7-13(11(3)4)16(20)14(8-12)17(21)22-9-15(19)18(5)6/h7-8,10-11,20H,9H2,1-6H3
InChIKeyJDOSUYXYODOARG-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.88
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 18078321) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID18078321
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)N(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C17H25NO4/c1-10(2)12-7-13(11(3)4)16(20)14(8-12)17(21)22-9-15(19)18(5)6/h7-8,10-11,20H,9H2,1-6H3
InChIKeyJDOSUYXYODOARG-UHFFFAOYSA-N
XLogP2.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809094
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8828538
[(3R)-3-cyano-4-imino-2-oxopentyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 7983461
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide
CID 39959722
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2650749
[2-oxo-2-(prop-2-enylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531107
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809104
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 4681469
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567601

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 18078321) is [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is CC(C)c1cc(C(=O)OCC(=O)N(C)C)c(O)c(C(C)C)c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is JDOSUYXYODOARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-10(2)12-7-13(11(3)4)16(20)14(8-12)17(21)22-9-15(19)18(5)6/h7-8,10-11,20H,9H2,1-6H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 307.39 g/mol, XLogP of 2.88, 5 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-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 18078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).