(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide

C17H16N2O2 — CID 40566840

IUPAC(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(21-16-10-8-14(12-18)9-11-16)17(20)19(2)15-6-4-3-5-7-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyUXHCBQDTRJEOMN-CYBMUJFWSA-N
MW280.33 g/mol
LogP2.99
Rot. Bonds4

About (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide

(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide (PubChem CID 40566840) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
PubChem CID40566840
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-13(21-16-10-8-14(12-18)9-11-16)17(20)19(2)15-6-4-3-5-7-15/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyUXHCBQDTRJEOMN-CYBMUJFWSA-N
XLogP2.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-methyl-2-(4-nitrophenoxy)-N-phenylpropanamide
CID 4814884
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983913
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8636414
2-(3-methoxyphenoxy)-N-methyl-N-phenylpropanamide
CID 43916072
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide (CID 40566840) is (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide?
The InChIKey is UXHCBQDTRJEOMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(21-16-10-8-14(12-18)9-11-16)17(20)19(2)15-6-4-3-5-7-15/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide?
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 40566840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).