(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide

C18H18N2O3 — CID 7613071

IUPAC(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H18N2O3/c1-3-22-16-10-6-7-11-17(16)23-13(2)18(21)20-15-9-5-4-8-14(15)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyWAHBJXUZWVAUFJ-CYBMUJFWSA-N
MW310.35 g/mol
LogP3.36
Rot. Bonds6

About (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide

(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide (PubChem CID 7613071) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
PubChem CID7613071
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H18N2O3/c1-3-22-16-10-6-7-11-17(16)23-13(2)18(21)20-15-9-5-4-8-14(15)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyWAHBJXUZWVAUFJ-CYBMUJFWSA-N
XLogP3.36
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708096
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8572716
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide (CID 7613071) is (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide is CCOc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide?
The InChIKey is WAHBJXUZWVAUFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-22-16-10-6-7-11-17(16)23-13(2)18(21)20-15-9-5-4-8-14(15)12-19/h4-11,13H,3H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide?
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide has a molecular weight of 310.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide is sourced from PubChem (CID 7613071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).