2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide

C17H15N3O3 — CID 18231327

IUPAC2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C17H15N3O3/c1-12(23-16-7-5-13(10-18)6-8-16)17(22)20-19-11-14-3-2-4-15(21)9-14/h2-9,11-12,21H,1H3,(H,20,22)/b19-11+
InChIKeyBNDWKJPMWIHTKI-YBFXNURJSA-N
MW309.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide

2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 18231327) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
PubChem CID18231327
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C17H15N3O3/c1-12(23-16-7-5-13(10-18)6-8-16)17(22)20-19-11-14-3-2-4-15(21)9-14/h2-9,11-12,21H,1H3,(H,20,22)/b19-11+
InChIKeyBNDWKJPMWIHTKI-YBFXNURJSA-N
XLogP2.18
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
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
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454917
(2S)-2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]propanamide
CID 5454916
2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
CID 3670228
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(4-cyanophenoxy)propanamide
CID 42996884
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
CID 28839263
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
(2S)-2-(3-bromophenoxy)-N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]propanamide
CID 9245474
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide (CID 18231327) is 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1cccc(O)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is BNDWKJPMWIHTKI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12(23-16-7-5-13(10-18)6-8-16)17(22)20-19-11-14-3-2-4-15(21)9-14/h2-9,11-12,21H,1H3,(H,20,22)/b19-11+.
What are the key properties of 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide?
2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 18231327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).