ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate

C19H21NO4 — CID 17045515

IUPACethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)24-13(2)3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyMANLYFBZPVCCLW-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.90
Rot. Bonds6

About ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate

ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate (PubChem CID 17045515) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
PubChem CID17045515
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)24-13(2)3/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyMANLYFBZPVCCLW-UHFFFAOYSA-N
XLogP3.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
diethyl 5-[[2-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 26206682
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
N-(4-butoxyphenyl)-2-propan-2-yloxybenzamide
CID 17045605
ethyl 4-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate
CID 4945828
diethyl-methyl-[2-[4-[(2-pentan-3-yloxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
CID 3039959
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate (CID 17045515) is ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1.
What is the InChIKey of ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate?
The InChIKey is MANLYFBZPVCCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-19(22)14-9-11-15(12-10-14)20-18(21)16-7-5-6-8-17(16)24-13(2)3/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate?
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate is sourced from PubChem (CID 17045515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).