2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide

C21H26N2O2 — CID 922557

IUPAC2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(C=NNC(=O)COc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)18-8-6-7-9-20(18)25-13-21(24)23-22-12-19-16(4)10-15(3)11-17(19)5/h6-12,14H,13H2,1-5H3,(H,23,24)
InChIKeyGREKQFIEHDCDNZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.26
Rot. Bonds6

About 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide

2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide (PubChem CID 922557) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
PubChem CID922557
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(C=NNC(=O)COc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)18-8-6-7-9-20(18)25-13-21(24)23-22-12-19-16(4)10-15(3)11-17(19)5/h6-12,14H,13H2,1-5H3,(H,23,24)
InChIKeyGREKQFIEHDCDNZ-UHFFFAOYSA-N
XLogP4.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methyl-2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 3529778
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924840
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603998
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide (CID 922557) is 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide is Cc1cc(C)c(C=NNC(=O)COc2ccccc2C(C)C)c(C)c1.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is GREKQFIEHDCDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)18-8-6-7-9-20(18)25-13-21(24)23-22-12-19-16(4)10-15(3)11-17(19)5/h6-12,14H,13H2,1-5H3,(H,23,24).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 922557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).