(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate

C14H17NO5 — CID 27011161

IUPAC(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)OC(C)C)cc1
InChIInChI=1S/C14H17NO5/c1-9(2)20-13(17)8-19-14(18)11-4-6-12(7-5-11)15-10(3)16/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyAZUOCDDRANPCST-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.75
Rot. Bonds5

About (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate

(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate (PubChem CID 27011161) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
PubChem CID27011161
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)OC(C)C)cc1
InChIInChI=1S/C14H17NO5/c1-9(2)20-13(17)8-19-14(18)11-4-6-12(7-5-11)15-10(3)16/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyAZUOCDDRANPCST-UHFFFAOYSA-N
XLogP1.75
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949759
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949758
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-acetamidobenzoate
CID 9016157
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194212
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833853

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate (CID 27011161) is (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)OC(C)C)cc1.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate?
The InChIKey is AZUOCDDRANPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-9(2)20-13(17)8-19-14(18)11-4-6-12(7-5-11)15-10(3)16/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate?
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate has a molecular weight of 279.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate is sourced from PubChem (CID 27011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).