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

C21H26N2O3 — CID 109008126

IUPACethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(C)C
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)17-10-6-7-12-18(17)23-19(24)13-22-20-15(4)9-8-11-16(20)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,24)
InChIKeyFSSPWATZGJDMFK-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.35
Rot. Bonds7

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

ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate (PubChem CID 109008126) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
PubChem CID109008126
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nameethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(C)C
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)17-10-6-7-12-18(17)23-19(24)13-22-20-15(4)9-8-11-16(20)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,24)
InChIKeyFSSPWATZGJDMFK-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)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 2-[[2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 42069343
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
2-(2-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008141
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
ethyl 2-(propanoylamino)benzoate
CID 4190428
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956307
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
methyl 2-[[3-(2-methyl-6-propan-2-ylanilino)-3-oxopropyl]amino]benzoate
CID 109037172
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate (CID 109008126) is ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CNc1c(C)cccc1C(C)C.
What is the InChIKey of ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
The InChIKey is FSSPWATZGJDMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-21(25)17-10-6-7-12-18(17)23-19(24)13-22-20-15(4)9-8-11-16(20)14(2)3/h6-12,14,22H,5,13H2,1-4H3,(H,23,24).
What are the key properties of ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate?
ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate has a molecular weight of 354.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 109008126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).