(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide

C17H16N2O2 — CID 2565309

IUPAC(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-15(10-8-12)19-17(20)13(2)21-16-6-4-3-5-14(16)11-18/h3-10,13H,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyLDIDNAIYXDLRCX-CYBMUJFWSA-N
MW280.33 g/mol
LogP3.27
Rot. Bonds4

About (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide

(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 2565309) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
PubChem CID2565309
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1
InChIInChI=1S/C17H16N2O2/c1-12-7-9-15(10-8-12)19-17(20)13(2)21-16-6-4-3-5-14(16)11-18/h3-10,13H,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyLDIDNAIYXDLRCX-CYBMUJFWSA-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-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
ethyl 3-[2-(2-cyanophenoxy)propanoylamino]benzoate
CID 46596294
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide (CID 2565309) is (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is LDIDNAIYXDLRCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-9-15(10-8-12)19-17(20)13(2)21-16-6-4-3-5-14(16)11-18/h3-10,13H,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide?
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)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 (2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 2565309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).