3-(4-cyanophenyl)-2-ethoxypropanamide

C12H14N2O2 — CID 90836418

IUPAC3-(4-cyanophenyl)-2-ethoxypropanamide
SMILESCCOC(Cc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-16-11(12(14)15)7-9-3-5-10(8-13)6-4-9/h3-6,11H,2,7H2,1H3,(H2,14,15)
InChIKeyCMTWSYTYIFPPJN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.99
Rot. Bonds5

About 3-(4-cyanophenyl)-2-ethoxypropanamide

3-(4-cyanophenyl)-2-ethoxypropanamide (PubChem CID 90836418) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-2-ethoxypropanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-2-ethoxypropanamide
PubChem CID90836418
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(4-cyanophenyl)-2-ethoxypropanamide
SMILESCCOC(Cc1ccc(C#N)cc1)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-16-11(12(14)15)7-9-3-5-10(8-13)6-4-9/h3-6,11H,2,7H2,1H3,(H2,14,15)
InChIKeyCMTWSYTYIFPPJN-UHFFFAOYSA-N
XLogP0.99
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-(4-cyanophenyl)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 174813622
ethyl (2R)-3-(4-cyanophenyl)-2-methylpropanoate
CID 124632195
ethyl 2-acetamido-3-(4-cyanophenyl)propanoate
CID 10869023
[(2R)-1-(4-cyanophenyl)-3-hydroxy-3-methylbutan-2-yl] carbamate
CID 139301195
ethyl (2S)-4-(4-cyanophenyl)-2-methyl-3-oxobutanoate
CID 129384790
ethyl 3-[4-[2-[4-(4-cyanophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoate
CID 142687317
4-(2-hydroxypropyl)benzonitrile
CID 66671297
2-ethoxy-3-phenylpropanoic acid
CID 54403311
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
2-ethoxy-3-(4-iodophenyl)propanoic acid
CID 133245448
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
ethyl (2S)-2-[(4-cyanophenyl)methyl-methylamino]propanoate
CID 129369530

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-2-ethoxypropanamide?
The IUPAC name of 3-(4-cyanophenyl)-2-ethoxypropanamide (CID 90836418) is 3-(4-cyanophenyl)-2-ethoxypropanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-2-ethoxypropanamide?
The canonical SMILES for 3-(4-cyanophenyl)-2-ethoxypropanamide is CCOC(Cc1ccc(C#N)cc1)C(N)=O.
What is the InChIKey of 3-(4-cyanophenyl)-2-ethoxypropanamide?
The InChIKey is CMTWSYTYIFPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-16-11(12(14)15)7-9-3-5-10(8-13)6-4-9/h3-6,11H,2,7H2,1H3,(H2,14,15).
What are the key properties of 3-(4-cyanophenyl)-2-ethoxypropanamide?
3-(4-cyanophenyl)-2-ethoxypropanamide has a molecular weight of 218.26 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-2-ethoxypropanamide is sourced from PubChem (CID 90836418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).