2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide

C19H23N3O2 — CID 3748878

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1cccnc1
InChIInChI=1S/C19H23N3O2/c1-13(2)17-8-7-14(3)10-18(17)24-12-19(23)22-21-15(4)16-6-5-9-20-11-16/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyJQNHREPTMSPJJO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.43
Rot. Bonds6

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide (PubChem CID 3748878) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
PubChem CID3748878
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1cccnc1
InChIInChI=1S/C19H23N3O2/c1-13(2)17-8-7-14(3)10-18(17)24-12-19(23)22-21-15(4)16-6-5-9-20-11-16/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyJQNHREPTMSPJJO-UHFFFAOYSA-N
XLogP3.43
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.43
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-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide 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

N-[1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 922128
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5419872
N-[(E)-1-(3-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 18205959
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929725
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5174343
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135549765
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]pyridine-3-carboxamide
CID 7303331
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 6014462

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide (CID 3748878) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide is CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1cccnc1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
The InChIKey is JQNHREPTMSPJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)17-8-7-14(3)10-18(17)24-12-19(23)22-21-15(4)16-6-5-9-20-11-16/h5-11,13H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide is sourced from PubChem (CID 3748878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).