N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H27N3O3 — CID 7929725

IUPACN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-14(2)20-10-9-15(3)11-21(20)28-13-22(27)25-24-16(4)18-7-6-8-19(12-18)23-17(5)26/h6-12,14H,13H2,1-5H3,(H,23,26)(H,25,27)/b24-16-
InChIKeyFAVBWDLHYJVXMA-JLPGSUDCSA-N
MW381.48 g/mol
LogP4.00
Rot. Bonds7

About N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 7929725) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID7929725
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(/C(C)=N\NC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-14(2)20-10-9-15(3)11-21(20)28-13-22(27)25-24-16(4)18-7-6-8-19(12-18)23-17(5)26/h6-12,14H,13H2,1-5H3,(H,23,26)(H,25,27)/b24-16-
InChIKeyFAVBWDLHYJVXMA-JLPGSUDCSA-N
XLogP4.00
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
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 N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)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-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 16618761
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 3748878
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
N-[1-(4-chlorophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3406819
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-(3-methylphenyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26164580
N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
ethyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 17066452

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 7929725) is N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is CC(=O)Nc1cccc(/C(C)=N\NC(=O)COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is FAVBWDLHYJVXMA-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)20-10-9-15(3)11-21(20)28-13-22(27)25-24-16(4)18-7-6-8-19(12-18)23-17(5)26/h6-12,14H,13H2,1-5H3,(H,23,26)(H,25,27)/b24-16-.
What are the key properties of N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 7929725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).