4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide

C25H24N2O3 — CID 90714269

IUPAC4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide
SMILESCC(C)C(=O)C(=Cc1ccncc1)C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(2)24(28)21(16-19-12-14-26-15-13-19)25(29)27-22-10-6-7-11-23(22)30-17-20-8-4-3-5-9-20/h3-16,18H,17H2,1-2H3,(H,27,29)
InChIKeyUFERIUVJZDLJQX-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.91
Rot. Bonds8

About 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide

4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide (PubChem CID 90714269) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide
PubChem CID90714269
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide
SMILESCC(C)C(=O)C(=Cc1ccncc1)C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C25H24N2O3/c1-18(2)24(28)21(16-19-12-14-26-15-13-19)25(29)27-22-10-6-7-11-23(22)30-17-20-8-4-3-5-9-20/h3-16,18H,17H2,1-2H3,(H,27,29)
InChIKeyUFERIUVJZDLJQX-UHFFFAOYSA-N
XLogP4.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide 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

(Z)-2-acetamido-3-phenyl-N-(2-phenylmethoxyphenyl)prop-2-enamide
CID 17093528
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
CID 178130112
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide?
The IUPAC name of 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide (CID 90714269) is 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide.
What is the SMILES notation for 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide?
The canonical SMILES for 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide is CC(C)C(=O)C(=Cc1ccncc1)C(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide?
The InChIKey is UFERIUVJZDLJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-18(2)24(28)21(16-19-12-14-26-15-13-19)25(29)27-22-10-6-7-11-23(22)30-17-20-8-4-3-5-9-20/h3-16,18H,17H2,1-2H3,(H,27,29).
What are the key properties of 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide?
4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide has a molecular weight of 400.48 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylidene)pentanamide is sourced from PubChem (CID 90714269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).