(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate

C20H21NO5 — CID 7903758

IUPAC(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-14(2)16-10-6-7-11-17(16)25-13-19(23)26-12-18(22)21-20(24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,24)
InChIKeyPFVCZCYTDJCDLQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.69
Rot. Bonds7

About (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate

(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 7903758) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
PubChem CID7903758
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-14(2)16-10-6-7-11-17(16)25-13-19(23)26-12-18(22)21-20(24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,24)
InChIKeyPFVCZCYTDJCDLQ-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
CID 35862747
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903726
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903929
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903860
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 9063804
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704846

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate (CID 7903758) is (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is PFVCZCYTDJCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-14(2)16-10-6-7-11-17(16)25-13-19(23)26-12-18(22)21-20(24)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,24).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate?
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 355.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 7903758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).