ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

C20H23NO4 — CID 682452

IUPACethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-4-24-20(23)17-7-5-6-8-18(17)21-19(22)13-25-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyZHUILJKDYWDYNU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds7

About ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate

ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 682452) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID682452
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23NO4/c1-4-24-20(23)17-7-5-6-8-18(17)21-19(22)13-25-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyZHUILJKDYWDYNU-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
N-(2-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158645
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
ethyl 2-(propanoylamino)benzoate
CID 4190428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 682452) is ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is ZHUILJKDYWDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-24-20(23)17-7-5-6-8-18(17)21-19(22)13-25-16-11-9-15(10-12-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 682452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).