2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide

C20H19N3O2 — CID 3670228

IUPAC2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
SMILESCC(C=NNC(=O)C(C)Oc1ccc(C#N)cc1)=Cc1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15(12-17-6-4-3-5-7-17)14-22-23-20(24)16(2)25-19-10-8-18(13-21)9-11-19/h3-12,14,16H,1-2H3,(H,23,24)
InChIKeyCFVAODYKGOXNOC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.53
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide

2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide (PubChem CID 3670228) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
PubChem CID3670228
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
SMILESCC(C=NNC(=O)C(C)Oc1ccc(C#N)cc1)=Cc1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15(12-17-6-4-3-5-7-17)14-22-23-20(24)16(2)25-19-10-8-18(13-21)9-11-19/h3-12,14,16H,1-2H3,(H,23,24)
InChIKeyCFVAODYKGOXNOC-UHFFFAOYSA-N
XLogP3.53
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
CID 18231327
(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 5433222
(2S)-2-[2-(4-cyanophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136472
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
CID 18206759
(2S)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454916
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454917
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide (CID 3670228) is 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide is CC(C=NNC(=O)C(C)Oc1ccc(C#N)cc1)=Cc1ccccc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide?
The InChIKey is CFVAODYKGOXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(12-17-6-4-3-5-7-17)14-22-23-20(24)16(2)25-19-10-8-18(13-21)9-11-19/h3-12,14,16H,1-2H3,(H,23,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide?
2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide has a molecular weight of 333.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide is sourced from PubChem (CID 3670228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).