ethyl 2-(oxane-4-carbonylamino)benzoate

C15H19NO4 — CID 30790941

IUPACethyl 2-(oxane-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C15H19NO4/c1-2-20-15(18)12-5-3-4-6-13(12)16-14(17)11-7-9-19-10-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyWWCZBNLGUUQOQA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds4

About ethyl 2-(oxane-4-carbonylamino)benzoate

ethyl 2-(oxane-4-carbonylamino)benzoate (PubChem CID 30790941) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-(oxane-4-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(oxane-4-carbonylamino)benzoate
PubChem CID30790941
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-(oxane-4-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCOCC1
InChIInChI=1S/C15H19NO4/c1-2-20-15(18)12-5-3-4-6-13(12)16-14(17)11-7-9-19-10-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,17)
InChIKeyWWCZBNLGUUQOQA-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
methyl 2-[[1-(oxane-4-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 113007963
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxane-4-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(oxane-4-carbonylamino)benzoate (CID 30790941) is ethyl 2-(oxane-4-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(oxane-4-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(oxane-4-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCOCC1.
What is the InChIKey of ethyl 2-(oxane-4-carbonylamino)benzoate?
The InChIKey is WWCZBNLGUUQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-15(18)12-5-3-4-6-13(12)16-14(17)11-7-9-19-10-8-11/h3-6,11H,2,7-10H2,1H3,(H,16,17).
What are the key properties of ethyl 2-(oxane-4-carbonylamino)benzoate?
ethyl 2-(oxane-4-carbonylamino)benzoate has a molecular weight of 277.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxane-4-carbonylamino)benzoate is sourced from PubChem (CID 30790941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).