2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

C26H28N2O3 — CID 6142910

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H28N2O3/c1-19(2)24-14-9-20(3)15-25(24)31-18-26(29)28-27-16-21-10-12-23(13-11-21)30-17-22-7-5-4-6-8-22/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16-
InChIKeySNYYOXGFKSYVHE-YUMHPJSZSA-N
MW416.52 g/mol
LogP5.23
Rot. Bonds9

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6142910) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6142910
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H28N2O3/c1-19(2)24-14-9-20(3)15-25(24)31-18-26(29)28-27-16-21-10-12-23(13-11-21)30-17-22-7-5-4-6-8-22/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16-
InChIKeySNYYOXGFKSYVHE-YUMHPJSZSA-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'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5410642
N-[(4-ethylphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 5189524
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898844
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6898722
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 41031515
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19190432
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499
[4-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 4248041
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3689638

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6142910) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1ccc(C(C)C)c(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is SNYYOXGFKSYVHE-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)24-14-9-20(3)15-25(24)31-18-26(29)28-27-16-21-10-12-23(13-11-21)30-17-22-7-5-4-6-8-22/h4-16,19H,17-18H2,1-3H3,(H,28,29)/b27-16-.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-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-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).