ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate

C24H23NO4 — CID 19172378

IUPACethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-3-28-24(27)21-6-4-5-7-22(21)25-23(26)16-29-20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-15H,3,16H2,1-2H3,(H,25,26)
InChIKeyUPEGBKZRTROZFJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.86
Rot. Bonds7

About ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate

ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate (PubChem CID 19172378) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
PubChem CID19172378
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23NO4/c1-3-28-24(27)21-6-4-5-7-22(21)25-23(26)16-29-20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-15H,3,16H2,1-2H3,(H,25,26)
InChIKeyUPEGBKZRTROZFJ-UHFFFAOYSA-N
XLogP4.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 724647
ethyl 2-[[2-(2-chloro-4-phenylphenoxy)acetyl]amino]benzoate
CID 7653195
ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoate
CID 17310220
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate (CID 19172378) is ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is UPEGBKZRTROZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-28-24(27)21-6-4-5-7-22(21)25-23(26)16-29-20-14-12-19(13-15-20)18-10-8-17(2)9-11-18/h4-15H,3,16H2,1-2H3,(H,25,26).
What are the key properties of ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate?
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 389.45 g/mol, XLogP of 4.86, 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-(4-methylphenyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 19172378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).