methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate

C23H22N2O3 — CID 112988583

IUPACmethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-3-5-17(6-4-16)15-22(26)25-21-13-11-20(12-14-21)24-19-9-7-18(8-10-19)23(27)28-2/h3-14,24H,15H2,1-2H3,(H,25,26)
InChIKeyDXKYBWIRVIPYGG-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.71
Rot. Bonds6

About methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate

methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate (PubChem CID 112988583) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate
PubChem CID112988583
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namemethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C23H22N2O3/c1-16-3-5-17(6-4-16)15-22(26)25-21-13-11-20(12-14-21)24-19-9-7-18(8-10-19)23(27)28-2/h3-14,24H,15H2,1-2H3,(H,25,26)
InChIKeyDXKYBWIRVIPYGG-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
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CID 7636745
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
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methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
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methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate?
The IUPAC name of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate (CID 112988583) is methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate.
What is the SMILES notation for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate?
The canonical SMILES for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate is COC(=O)c1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate?
The InChIKey is DXKYBWIRVIPYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-3-5-17(6-4-16)15-22(26)25-21-13-11-20(12-14-21)24-19-9-7-18(8-10-19)23(27)28-2/h3-14,24H,15H2,1-2H3,(H,25,26).
What are the key properties of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate?
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate has a molecular weight of 374.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate is sourced from PubChem (CID 112988583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).