ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate

C21H22N2O5 — CID 109052957

IUPACethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-2-28-21(26)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(14-16)20(25)23-10-12-27-13-11-23/h3-9,14H,2,10-13H2,1H3,(H,22,24)
InChIKeyQCHMPMOUMXGOGY-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.59
Rot. Bonds5

About ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate

ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate (PubChem CID 109052957) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
PubChem CID109052957
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H22N2O5/c1-2-28-21(26)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(14-16)20(25)23-10-12-27-13-11-23/h3-9,14H,2,10-13H2,1H3,(H,22,24)
InChIKeyQCHMPMOUMXGOGY-UHFFFAOYSA-N
XLogP2.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
ethyl 4-[(2-morpholin-4-yl-2-oxoacetyl)amino]benzoate
CID 2250451
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate (CID 109052957) is ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate?
The InChIKey is QCHMPMOUMXGOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-28-21(26)15-6-8-18(9-7-15)22-19(24)16-4-3-5-17(14-16)20(25)23-10-12-27-13-11-23/h3-9,14H,2,10-13H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate?
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate has a molecular weight of 382.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109052957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).