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

C26H28N2O3 — CID 4076296

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19(2)22-14-13-20(3)25(15-22)31-18-26(29)28-27-16-23-11-7-8-12-24(23)30-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)
InChIKeyBGVUPSFOUGAJGZ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.23
Rot. Bonds9

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 4076296) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID4076296
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19(2)22-14-13-20(3)25(15-22)31-18-26(29)28-27-16-23-11-7-8-12-24(23)30-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)
InChIKeyBGVUPSFOUGAJGZ-UHFFFAOYSA-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-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide
CID 4149851
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 51061337
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190479
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3689638
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135607666
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6009481
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-(2,5-dimethylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3297104
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 136794200

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 4076296) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is BGVUPSFOUGAJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)22-14-13-20(3)25(15-22)31-18-26(29)28-27-16-23-11-7-8-12-24(23)30-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(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-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4076296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).