(4-benzamidophenyl) 3-ethoxybenzoate

C22H19NO4 — CID 55883088

IUPAC(4-benzamidophenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-2-26-20-10-6-9-17(15-20)22(25)27-19-13-11-18(12-14-19)23-21(24)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,24)
InChIKeyTUSJEZWCHIEJMN-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.56
Rot. Bonds6

About (4-benzamidophenyl) 3-ethoxybenzoate

(4-benzamidophenyl) 3-ethoxybenzoate (PubChem CID 55883088) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (4-benzamidophenyl) 3-ethoxybenzoate.

Molecular Properties

Compound Name(4-benzamidophenyl) 3-ethoxybenzoate
PubChem CID55883088
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(4-benzamidophenyl) 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO4/c1-2-26-20-10-6-9-17(15-20)22(25)27-19-13-11-18(12-14-19)23-21(24)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,24)
InChIKeyTUSJEZWCHIEJMN-UHFFFAOYSA-N
XLogP4.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-benzamidophenyl) benzoate
CID 569583
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate
CID 1243978
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
(4-benzamidophenyl) 3-(2,2-dimethylpropanoylamino)benzoate
CID 35189238

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 3-ethoxybenzoate?
The IUPAC name of (4-benzamidophenyl) 3-ethoxybenzoate (CID 55883088) is (4-benzamidophenyl) 3-ethoxybenzoate.
What is the SMILES notation for (4-benzamidophenyl) 3-ethoxybenzoate?
The canonical SMILES for (4-benzamidophenyl) 3-ethoxybenzoate is CCOc1cccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of (4-benzamidophenyl) 3-ethoxybenzoate?
The InChIKey is TUSJEZWCHIEJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-2-26-20-10-6-9-17(15-20)22(25)27-19-13-11-18(12-14-19)23-21(24)16-7-4-3-5-8-16/h3-15H,2H2,1H3,(H,23,24).
What are the key properties of (4-benzamidophenyl) 3-ethoxybenzoate?
(4-benzamidophenyl) 3-ethoxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 3-ethoxybenzoate is sourced from PubChem (CID 55883088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).