(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide

C19H18N2O3 — CID 7696286

IUPAC(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(C=O)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3/c1-12-7-16(11-22)8-13(2)18(12)24-14(3)19(23)21-17-6-4-5-15(9-17)10-20/h4-9,11,14H,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyGZWUKZBHOCTSMB-AWEZNQCLSA-N
MW322.36 g/mol
LogP3.39
Rot. Bonds5

About (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide

(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide (PubChem CID 7696286) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
PubChem CID7696286
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
SMILESCc1cc(C=O)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3/c1-12-7-16(11-22)8-13(2)18(12)24-14(3)19(23)21-17-6-4-5-15(9-17)10-20/h4-9,11,14H,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyGZWUKZBHOCTSMB-AWEZNQCLSA-N
XLogP3.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966461
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
N-(3-cyanophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 16529582
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7882769
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7505193
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504758

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide (CID 7696286) is (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide is Cc1cc(C=O)cc(C)c1O[C@@H](C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide?
The InChIKey is GZWUKZBHOCTSMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-16(11-22)8-13(2)18(12)24-14(3)19(23)21-17-6-4-5-15(9-17)10-20/h4-9,11,14H,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide?
(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide has a molecular weight of 322.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 7696286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).