(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide

C20H20N2O4 — CID 7960429

IUPAC(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide
SMILESCCCOc1ccc(C=O)c(O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C20H20N2O4/c1-3-9-25-18-8-7-16(13-23)19(11-18)26-14(2)20(24)22-17-6-4-5-15(10-17)12-21/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyLQUULMLTXVZCDN-CQSZACIVSA-N
MW352.39 g/mol
LogP3.57
Rot. Bonds8

About (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide

(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide (PubChem CID 7960429) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide
PubChem CID7960429
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide
SMILESCCCOc1ccc(C=O)c(O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C20H20N2O4/c1-3-9-25-18-8-7-16(13-23)19(11-18)26-14(2)20(24)22-17-6-4-5-15(10-17)12-21/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyLQUULMLTXVZCDN-CQSZACIVSA-N
XLogP3.57
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-5-propoxyphenoxy)-N-prop-2-enylpropanamide
CID 43388408
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
CID 7278196
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
(2S)-N-(3-cyanophenyl)-2-(4-formyl-2,6-dimethylphenoxy)propanamide
CID 7696286
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
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 42901566
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide (CID 7960429) is (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide is CCCOc1ccc(C=O)c(O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide?
The InChIKey is LQUULMLTXVZCDN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-9-25-18-8-7-16(13-23)19(11-18)26-14(2)20(24)22-17-6-4-5-15(10-17)12-21/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide?
(2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide has a molecular weight of 352.39 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-(2-formyl-5-propoxyphenoxy)propanamide is sourced from PubChem (CID 7960429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).