N-(4-cyanophenyl)-2-phenylmethoxypropanamide

C17H16N2O2 — CID 43187551

IUPACN-(4-cyanophenyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-13(21-12-15-5-3-2-4-6-15)17(20)19-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20)
InChIKeyPZSRSFXECXVOTB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.10
Rot. Bonds5

About N-(4-cyanophenyl)-2-phenylmethoxypropanamide

N-(4-cyanophenyl)-2-phenylmethoxypropanamide (PubChem CID 43187551) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-phenylmethoxypropanamide
PubChem CID43187551
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(4-cyanophenyl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-13(21-12-15-5-3-2-4-6-15)17(20)19-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20)
InChIKeyPZSRSFXECXVOTB-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-(3-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187553
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874817
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985979
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
2-methyl-2-[4-(2-phenylmethoxypropanoylamino)phenyl]propanoic acid
CID 119253847
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-phenylmethoxypropanamide (CID 43187551) is N-(4-cyanophenyl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-phenylmethoxypropanamide?
The InChIKey is PZSRSFXECXVOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(21-12-15-5-3-2-4-6-15)17(20)19-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-phenylmethoxypropanamide?
N-(4-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-(4-cyanophenyl)-2-phenylmethoxypropanamide is sourced from PubChem (CID 43187551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).