N-(2-cyanophenyl)-2-cyclobutyloxypropanamide

C14H16N2O2 — CID 55041309

IUPACN-(2-cyanophenyl)-2-cyclobutyloxypropanamide
SMILESCC(OC1CCC1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H16N2O2/c1-10(18-12-6-4-7-12)14(17)16-13-8-3-2-5-11(13)9-15/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,16,17)
InChIKeyPIOZFAFVWQBDFA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds4

About N-(2-cyanophenyl)-2-cyclobutyloxypropanamide

N-(2-cyanophenyl)-2-cyclobutyloxypropanamide (PubChem CID 55041309) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-cyclobutyloxypropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-cyclobutyloxypropanamide
PubChem CID55041309
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-cyanophenyl)-2-cyclobutyloxypropanamide
SMILESCC(OC1CCC1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H16N2O2/c1-10(18-12-6-4-7-12)14(17)16-13-8-3-2-5-11(13)9-15/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,16,17)
InChIKeyPIOZFAFVWQBDFA-UHFFFAOYSA-N
XLogP2.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
CID 8705609
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635282
(2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)propanamide
CID 7643000
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methylbenzoate
CID 2604649
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-cyclobutyloxypropanamide?
The IUPAC name of N-(2-cyanophenyl)-2-cyclobutyloxypropanamide (CID 55041309) is N-(2-cyanophenyl)-2-cyclobutyloxypropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-cyclobutyloxypropanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-cyclobutyloxypropanamide is CC(OC1CCC1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-cyclobutyloxypropanamide?
The InChIKey is PIOZFAFVWQBDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(18-12-6-4-7-12)14(17)16-13-8-3-2-5-11(13)9-15/h2-3,5,8,10,12H,4,6-7H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanophenyl)-2-cyclobutyloxypropanamide?
N-(2-cyanophenyl)-2-cyclobutyloxypropanamide has a molecular weight of 244.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-cyclobutyloxypropanamide is sourced from PubChem (CID 55041309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).