ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate

C19H18N2O4 — CID 46596294

IUPACethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C#N)c1
InChIInChI=1S/C19H18N2O4/c1-3-24-19(23)14-8-6-9-16(11-14)21-18(22)13(2)25-17-10-5-4-7-15(17)12-20/h4-11,13H,3H2,1-2H3,(H,21,22)
InChIKeyNKVSPJHPCQWNRL-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.14
Rot. Bonds6

About ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate

ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate (PubChem CID 46596294) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
PubChem CID46596294
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C#N)c1
InChIInChI=1S/C19H18N2O4/c1-3-24-19(23)14-8-6-9-16(11-14)21-18(22)13(2)25-17-10-5-4-7-15(17)12-20/h4-11,13H,3H2,1-2H3,(H,21,22)
InChIKeyNKVSPJHPCQWNRL-UHFFFAOYSA-N
XLogP3.14
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
ethyl 3-[2-(2,4,5-trichlorophenoxy)propanoylamino]benzoate
CID 3272720
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
propyl 3-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266502
ethyl 3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78659294
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate?
The IUPAC name of ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate (CID 46596294) is ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate?
The canonical SMILES for ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)C(C)Oc2ccccc2C#N)c1.
What is the InChIKey of ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate?
The InChIKey is NKVSPJHPCQWNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-24-19(23)14-8-6-9-16(11-14)21-18(22)13(2)25-17-10-5-4-7-15(17)12-20/h4-11,13H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate?
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate is sourced from PubChem (CID 46596294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).