propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate

C20H24N2O4 — CID 54817296

IUPACpropyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNc2ccccc2OCC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-13-26-20(24)15-9-11-16(12-10-15)22-19(23)14-21-17-7-5-6-8-18(17)25-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyQUTJANNVPKVBJX-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.70
Rot. Bonds9

About propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate

propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate (PubChem CID 54817296) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
PubChem CID54817296
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namepropyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CNc2ccccc2OCC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-13-26-20(24)15-9-11-16(12-10-15)22-19(23)14-21-17-7-5-6-8-18(17)25-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23)
InChIKeyQUTJANNVPKVBJX-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
propyl 4-[[2-(2-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54812902
4-[[2-(2-ethoxyanilino)acetyl]amino]-N-ethylbenzamide
CID 54817374
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate (CID 54817296) is propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)CNc2ccccc2OCC)cc1.
What is the InChIKey of propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate?
The InChIKey is QUTJANNVPKVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-13-26-20(24)15-9-11-16(12-10-15)22-19(23)14-21-17-7-5-6-8-18(17)25-4-2/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,23).
What are the key properties of propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate?
propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate has a molecular weight of 356.42 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate is sourced from PubChem (CID 54817296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).