propyl 4-[(2-ethoxybenzoyl)amino]benzoate

C19H21NO4 — CID 4565616

IUPACpropyl 4-[(2-ethoxybenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C19H21NO4/c1-3-13-24-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJAKMTJLHFPXMTG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.90
Rot. Bonds7

About propyl 4-[(2-ethoxybenzoyl)amino]benzoate

propyl 4-[(2-ethoxybenzoyl)amino]benzoate (PubChem CID 4565616) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is propyl 4-[(2-ethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-ethoxybenzoyl)amino]benzoate
PubChem CID4565616
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namepropyl 4-[(2-ethoxybenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C19H21NO4/c1-3-13-24-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyJAKMTJLHFPXMTG-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
propyl 4-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17355916
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
diethyl-methyl-[2-[4-[(2-undecoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 154676358
propyl 4-[[2-(2-ethoxyanilino)acetyl]amino]benzoate
CID 54817296
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
diethyl-[2-[4-[(2-hexoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium;methanol
CID 154676436
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]-pentylazanium
CID 154676643

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-ethoxybenzoyl)amino]benzoate (CID 4565616) is propyl 4-[(2-ethoxybenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-ethoxybenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccccc2OCC)cc1.
What is the InChIKey of propyl 4-[(2-ethoxybenzoyl)amino]benzoate?
The InChIKey is JAKMTJLHFPXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-13-24-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of propyl 4-[(2-ethoxybenzoyl)amino]benzoate?
propyl 4-[(2-ethoxybenzoyl)amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-ethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 4565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).