N-(3-cyanophenyl)-2-phenylmethoxypropanamide

C17H16N2O2 — CID 43187553

IUPACN-(3-cyanophenyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-13(21-12-14-6-3-2-4-7-14)17(20)19-16-9-5-8-15(10-16)11-18/h2-10,13H,12H2,1H3,(H,19,20)
InChIKeyWVAXPVVHONUKCR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.10
Rot. Bonds5

About N-(3-cyanophenyl)-2-phenylmethoxypropanamide

N-(3-cyanophenyl)-2-phenylmethoxypropanamide (PubChem CID 43187553) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-phenylmethoxypropanamide
PubChem CID43187553
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(3-cyanophenyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-13(21-12-14-6-3-2-4-7-14)17(20)19-16-9-5-8-15(10-16)11-18/h2-10,13H,12H2,1H3,(H,19,20)
InChIKeyWVAXPVVHONUKCR-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7533554
benzyl N-[1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 78769011
[1-(3-cyanoanilino)-1-oxopropan-2-yl] benzoate
CID 18777205
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-3-phenylpropanoate
CID 8937732
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 7749943
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7227791
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775585
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772708

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-phenylmethoxypropanamide (CID 43187553) is N-(3-cyanophenyl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-phenylmethoxypropanamide?
The InChIKey is WVAXPVVHONUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(21-12-14-6-3-2-4-7-14)17(20)19-16-9-5-8-15(10-16)11-18/h2-10,13H,12H2,1H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-2-phenylmethoxypropanamide?
N-(3-cyanophenyl)-2-phenylmethoxypropanamide has a molecular weight of 280.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-phenylmethoxypropanamide is sourced from PubChem (CID 43187553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).