diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium

C26H29N2O4+ — CID 2542662

IUPACdiethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-3-28(4-2)18-19-31-26(30)20-14-16-21(17-15-20)27-25(29)23-12-8-9-13-24(23)32-22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)/p+1
InChIKeyJPBARRFKTIHKHJ-UHFFFAOYSA-O
MW433.53 g/mol
LogP3.81
Rot. Bonds10

About diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium

diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium (PubChem CID 2542662) has the molecular formula C26H29N2O4+ and a molecular weight of 433.53 g/mol. Its IUPAC name is diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium
PubChem CID2542662
Molecular FormulaC26H29N2O4+
Molecular Weight433.53 g/mol
Exact Mass433.21
IUPAC Namediethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-3-28(4-2)18-19-31-26(30)20-14-16-21(17-15-20)27-25(29)23-12-8-9-13-24(23)32-22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)/p+1
InChIKeyJPBARRFKTIHKHJ-UHFFFAOYSA-O
XLogP3.81
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
2-phenoxy-N-phenylbenzamide
CID 3402306
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
(E)-4-[4-[2-(diethylazaniumyl)ethoxycarbonyl]anilino]-4-oxobut-2-enoate
CID 40621086
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515
diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;methane;bromide
CID 159004391
diethyl-methyl-[2-[4-[(2-undecoxybenzoyl)amino]benzoyl]oxyethyl]azanium
CID 154676358
diethyl-[2-[4-[[2-(3-methylphenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961513
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium?
The IUPAC name of diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium (CID 2542662) is diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium.
What is the SMILES notation for diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium?
The canonical SMILES for diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium is CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium?
The InChIKey is JPBARRFKTIHKHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H28N2O4/c1-3-28(4-2)18-19-31-26(30)20-14-16-21(17-15-20)27-25(29)23-12-8-9-13-24(23)32-22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,27,29)/p+1.
What are the key properties of diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium?
diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium has a molecular weight of 433.53 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[4-[(2-phenoxybenzoyl)amino]benzoyl]oxyethyl]azanium is sourced from PubChem (CID 2542662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).