(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide

C18H18N2O2 — CID 7668733

IUPAC(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C18H18N2O2/c1-12-7-6-10-17(13(12)2)22-14(3)18(21)20-16-9-5-4-8-15(16)11-19/h4-10,14H,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyMYIQEPBCYDRUIQ-AWEZNQCLSA-N
MW294.35 g/mol
LogP3.58
Rot. Bonds4

About (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide

(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 7668733) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID7668733
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C18H18N2O2/c1-12-7-6-10-17(13(12)2)22-14(3)18(21)20-16-9-5-4-8-15(16)11-19/h4-10,14H,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyMYIQEPBCYDRUIQ-AWEZNQCLSA-N
XLogP3.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methylbenzoate
CID 2604649
(2S)-N-(2-cyanophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 7613626

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide (CID 7668733) is (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C#N)c1C.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MYIQEPBCYDRUIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-7-6-10-17(13(12)2)22-14(3)18(21)20-16-9-5-4-8-15(16)11-19/h4-10,14H,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 294.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 7668733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).