2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

C26H28N2O3 — CID 19190479

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)ccc1C(C)C
InChIInChI=1S/C26H28N2O3/c1-19(2)24-14-13-23(15-20(24)3)30-18-26(29)28-27-16-22-11-7-8-12-25(22)31-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+
InChIKeySCXGKGTXLIMMLB-JVWAILMASA-N
MW416.52 g/mol
LogP5.23
Rot. Bonds9

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 19190479) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID19190479
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)ccc1C(C)C
InChIInChI=1S/C26H28N2O3/c1-19(2)24-14-13-23(15-20(24)3)30-18-26(29)28-27-16-22-11-7-8-12-25(22)31-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+
InChIKeySCXGKGTXLIMMLB-JVWAILMASA-N
XLogP5.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.23
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-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)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

2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4076296
2-(3,4-dimethylphenoxy)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 9316184
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215
N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5497349
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189755
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189761
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190850
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
CID 4927289
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 19190479) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1cc(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SCXGKGTXLIMMLB-JVWAILMASA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)24-14-13-23(15-20(24)3)30-18-26(29)28-27-16-22-11-7-8-12-25(22)31-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16+.
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 416.52 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).