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

C19H29NO4 — CID 2531108

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)CNC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C19H29NO4/c1-11(2)9-20-17(21)10-24-19(23)16-8-14(12(3)4)7-15(13(5)6)18(16)22/h7-8,11-13,22H,9-10H2,1-6H3,(H,20,21)
InChIKeyCPURWNKNNSLEDB-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.57
Rot. Bonds7

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

[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 2531108) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID2531108
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)CNC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C19H29NO4/c1-11(2)9-20-17(21)10-24-19(23)16-8-14(12(3)4)7-15(13(5)6)18(16)22/h7-8,11-13,22H,9-10H2,1-6H3,(H,20,21)
InChIKeyCPURWNKNNSLEDB-UHFFFAOYSA-N
XLogP3.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(prop-2-enylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531107
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2650749
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 18078321
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809094
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 4681469
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809104
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8828538
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
CID 8561648
[2-(2-methylpropylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7812083
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
[(3R)-3-cyano-4-imino-2-oxopentyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 7983461

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 2531108) is [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is CC(C)CNC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is CPURWNKNNSLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-11(2)9-20-17(21)10-24-19(23)16-8-14(12(3)4)7-15(13(5)6)18(16)22/h7-8,11-13,22H,9-10H2,1-6H3,(H,20,21).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 335.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 2531108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).