2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide

C25H24N4O3 — CID 10526552

IUPAC2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
SMILESCC(NC(=O)COc1ccc(/C=C/c2ccccc2)cc1)C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C25H24N4O3/c1-19(25(31)29-27-17-22-8-5-15-26-16-22)28-24(30)18-32-23-13-11-21(12-14-23)10-9-20-6-3-2-4-7-20/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31)/b10-9+,27-17+
InChIKeyJEFWSCWVJCNTTA-IVEDPBQYSA-N
MW428.49 g/mol
LogP3.29
Rot. Bonds9

About 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide

2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide (PubChem CID 10526552) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
PubChem CID10526552
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
SMILESCC(NC(=O)COc1ccc(/C=C/c2ccccc2)cc1)C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C25H24N4O3/c1-19(25(31)29-27-17-22-8-5-15-26-16-22)28-24(30)18-32-23-13-11-21(12-14-23)10-9-20-6-3-2-4-7-20/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31)/b10-9+,27-17+
InChIKeyJEFWSCWVJCNTTA-IVEDPBQYSA-N
XLogP3.29
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.29
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 11838881
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
(2R)-N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
CID 41009890
N-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
CID 3963047
azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
CID 173185304
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6048328
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646
2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6005888
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The IUPAC name of 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide (CID 10526552) is 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide.
What is the SMILES notation for 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The canonical SMILES for 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide is CC(NC(=O)COc1ccc(/C=C/c2ccccc2)cc1)C(=O)N/N=C/c1cccnc1.
What is the InChIKey of 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
The InChIKey is JEFWSCWVJCNTTA-IVEDPBQYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-19(25(31)29-27-17-22-8-5-15-26-16-22)28-24(30)18-32-23-13-11-21(12-14-23)10-9-20-6-3-2-4-7-20/h2-17,19H,18H2,1H3,(H,28,30)(H,29,31)/b10-9+,27-17+.
What are the key properties of 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide?
2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide has a molecular weight of 428.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide is sourced from PubChem (CID 10526552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).