2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide

C22H28N2O4 — CID 1105085

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2C)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15-11-17(22(2,3)4)8-10-19(15)28-14-21(25)24-23-13-16-7-9-18(26-5)12-20(16)27-6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyBWLBLDJMKUCWMP-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide

2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 1105085) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID1105085
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2C)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15-11-17(22(2,3)4)8-10-19(15)28-14-21(25)24-23-13-16-7-9-18(26-5)12-20(16)27-6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyBWLBLDJMKUCWMP-UHFFFAOYSA-N
XLogP3.84
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.84
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'}

Analyze 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]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-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
2-(4-tert-butyl-2-methylphenoxy)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1105092
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 5441416
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5426190
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135533037
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-(2-benzylphenoxy)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 9359690
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide (CID 1105085) is 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(C=NNC(=O)COc2ccc(C(C)(C)C)cc2C)c(OC)c1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is BWLBLDJMKUCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-11-17(22(2,3)4)8-10-19(15)28-14-21(25)24-23-13-16-7-9-18(26-5)12-20(16)27-6/h7-13H,14H2,1-6H3,(H,24,25).
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide?
2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 384.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).