methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate

C23H18N2O4 — CID 3469007

IUPACmethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)20-4-2-3-5-21(20)25-22(26)15-29-19-12-10-18(11-13-19)17-8-6-16(14-24)7-9-17/h2-13H,15H2,1H3,(H,25,26)
InChIKeyMHTPTCKVNJHETH-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.03
Rot. Bonds6

About methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate (PubChem CID 3469007) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
PubChem CID3469007
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Namemethyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N2O4/c1-28-23(27)20-4-2-3-5-21(20)25-22(26)15-29-19-12-10-18(11-13-19)17-8-6-16(14-24)7-9-17/h2-13H,15H2,1H3,(H,25,26)
InChIKeyMHTPTCKVNJHETH-UHFFFAOYSA-N
XLogP4.03
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]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

methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16595652
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 7670294
methyl 2-[2-(4-cyanophenoxy)ethylamino]benzoate
CID 55433295
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate (CID 3469007) is methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate?
The InChIKey is MHTPTCKVNJHETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-23(27)20-4-2-3-5-21(20)25-22(26)15-29-19-12-10-18(11-13-19)17-8-6-16(14-24)7-9-17/h2-13H,15H2,1H3,(H,25,26).
What are the key properties of methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate has a molecular weight of 386.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 3469007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).