2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide

C26H22N4O2 — CID 18206759

IUPAC2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H22N4O2/c1-18(32-21-14-12-19(16-27)13-15-21)26(31)29-28-17-23-22-10-6-7-11-24(22)30(2)25(23)20-8-4-3-5-9-20/h3-15,17-18H,1-2H3,(H,29,31)/b28-17+
InChIKeyAMXZZGLXWGRIQF-OGLMXYFKSA-N
MW422.49 g/mol
LogP4.63
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide

2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide (PubChem CID 18206759) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
PubChem CID18206759
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C26H22N4O2/c1-18(32-21-14-12-19(16-27)13-15-21)26(31)29-28-17-23-22-10-6-7-11-24(22)30(2)25(23)20-8-4-3-5-9-20/h3-15,17-18H,1-2H3,(H,29,31)/b28-17+
InChIKeyAMXZZGLXWGRIQF-OGLMXYFKSA-N
XLogP4.63
TPSA79.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
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

2-(4-cyanophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]propanamide
CID 3670228
2-(4-cyanophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]propanamide
CID 18231327
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(4-cyanophenoxy)propanamide
CID 42996884
(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
(2S)-2-(4-cyanophenoxy)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]propanamide
CID 9152541
(2R)-2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 5433222
2-(4-cyanophenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]propanamide
CID 6265900
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
CID 40718916
(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
2-(4-cyanophenoxy)-N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]propanamide
CID 42996878

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide (CID 18206759) is 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)N/N=C/c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide?
The InChIKey is AMXZZGLXWGRIQF-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-18(32-21-14-12-19(16-27)13-15-21)26(31)29-28-17-23-22-10-6-7-11-24(22)30(2)25(23)20-8-4-3-5-9-20/h3-15,17-18H,1-2H3,(H,29,31)/b28-17+.
What are the key properties of 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide?
2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide has a molecular weight of 422.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 18206759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).