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

C20H23NO4 — CID 682450

IUPACethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-24-20(23)16-5-9-17(10-6-16)21-19(22)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyMAXNUMUSQWWIBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds7

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

ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (PubChem CID 682450) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
PubChem CID682450
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-4-24-20(23)16-5-9-17(10-6-16)21-19(22)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChIKeyMAXNUMUSQWWIBE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
ethyl 4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 7128264
ethyl 4-[2-(4-cyanoanilino)-2-oxoethoxy]benzoate
CID 34569577
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate (CID 682450) is ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
The InChIKey is MAXNUMUSQWWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-24-20(23)16-5-9-17(10-6-16)21-19(22)13-25-18-11-7-15(8-12-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate?
ethyl 4-[[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 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 682450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).