(1-ethoxyethenylamino) benzoate

C11H13NO3 — CID 123459166

IUPAC(1-ethoxyethenylamino) benzoate
SMILESC=C(NOC(=O)c1ccccc1)OCC
InChIInChI=1S/C11H13NO3/c1-3-14-9(2)12-15-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3H2,1H3
InChIKeyFNDLTLJHQCMMCY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.86
Rot. Bonds5

About (1-ethoxyethenylamino) benzoate

(1-ethoxyethenylamino) benzoate (PubChem CID 123459166) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (1-ethoxyethenylamino) benzoate.

Molecular Properties

Compound Name(1-ethoxyethenylamino) benzoate
PubChem CID123459166
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(1-ethoxyethenylamino) benzoate
SMILESC=C(NOC(=O)c1ccccc1)OCC
InChIInChI=1S/C11H13NO3/c1-3-14-9(2)12-15-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3H2,1H3
InChIKeyFNDLTLJHQCMMCY-UHFFFAOYSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 158970570
CID 158970570
ethyl benzoate;phthalic acid
CID 159584831
benzoyl benzoate;2-ethoxyprop-2-enoic acid
CID 175592406
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
[(2-methoxy-2-oxoacetyl)amino] benzoate
CID 152508358
ethyl benzoate;sulfuryl dichloride
CID 159512060
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 1-phenylethenyl carbonate
CID 10081285
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564

Frequently Asked Questions

What is the IUPAC name of (1-ethoxyethenylamino) benzoate?
The IUPAC name of (1-ethoxyethenylamino) benzoate (CID 123459166) is (1-ethoxyethenylamino) benzoate.
What is the SMILES notation for (1-ethoxyethenylamino) benzoate?
The canonical SMILES for (1-ethoxyethenylamino) benzoate is C=C(NOC(=O)c1ccccc1)OCC.
What is the InChIKey of (1-ethoxyethenylamino) benzoate?
The InChIKey is FNDLTLJHQCMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-14-9(2)12-15-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3H2,1H3.
What are the key properties of (1-ethoxyethenylamino) benzoate?
(1-ethoxyethenylamino) benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyethenylamino) benzoate is sourced from PubChem (CID 123459166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).