N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide

C17H16N2O2 — CID 2989906

IUPACN-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-16-9-4-3-7-14(16)11-18/h3-10,13H,1-2H3,(H,19,20)
InChIKeyNLGUCPHSBLUZPH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds4

About N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide

N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide (PubChem CID 2989906) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
PubChem CID2989906
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-16-9-4-3-7-14(16)11-18/h3-10,13H,1-2H3,(H,19,20)
InChIKeyNLGUCPHSBLUZPH-UHFFFAOYSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
N-benzyl-3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253400
N-benzyl-3-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9253397
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide (CID 2989906) is N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is NLGUCPHSBLUZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-16-9-4-3-7-14(16)11-18/h3-10,13H,1-2H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide?
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 280.33 g/mol, XLogP of 3.27, 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-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2989906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).