methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate

C20H24N2O3 — CID 109008109

IUPACmethyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-14(3)19(17)21-12-18(23)22-16-10-8-15(9-11-16)20(24)25-4/h5-11,13,21H,12H2,1-4H3,(H,22,23)
InChIKeyPLUMDMFGFHRBFG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds6

About methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate

methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate (PubChem CID 109008109) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
PubChem CID109008109
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-14(3)19(17)21-12-18(23)22-16-10-8-15(9-11-16)20(24)25-4/h5-11,13,21H,12H2,1-4H3,(H,22,23)
InChIKeyPLUMDMFGFHRBFG-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008110
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146
methyl 4-[[2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142538
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630
2-(2,6-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007530
methyl 4-[[2-[4-(3-methylbutanoylamino)anilino]-2-oxoethyl]amino]benzoate
CID 54816789
2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008126
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate (CID 109008109) is methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The InChIKey is PLUMDMFGFHRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)17-7-5-6-14(3)19(17)21-12-18(23)22-16-10-8-15(9-11-16)20(24)25-4/h5-11,13,21H,12H2,1-4H3,(H,22,23).
What are the key properties of methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109008109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).