2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide

C22H28N2O2 — CID 4982206

IUPAC2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=C(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-17(4)18-11-13-20(14-12-18)26-15-21(25)23-24-22(16(2)3)19-9-7-6-8-10-19/h6-14,16-17H,5,15H2,1-4H3,(H,23,25)
InChIKeyWJEBWEPXCZNVQL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.76
Rot. Bonds8

About 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide

2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide (PubChem CID 4982206) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
PubChem CID4982206
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
SMILESCCC(C)c1ccc(OCC(=O)NN=C(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-5-17(4)18-11-13-20(14-12-18)26-15-21(25)23-24-22(16(2)3)19-9-7-6-8-10-19/h6-14,16-17H,5,15H2,1-4H3,(H,23,25)
InChIKeyWJEBWEPXCZNVQL-UHFFFAOYSA-N
XLogP4.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.76
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-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 6231630
2-(4-butan-2-ylphenoxy)-N-[(E)-heptan-3-ylideneamino]acetamide
CID 54785064
2-(4-butan-2-ylphenoxy)-N-(3-phenylpropylideneamino)acetamide
CID 4922259
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 3255035
N'-[2-(4-butan-2-ylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 2965039
2-(2,3-dimethylphenoxy)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17343902
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 7643309
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide (CID 4982206) is 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide is CCC(C)c1ccc(OCC(=O)NN=C(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
The InChIKey is WJEBWEPXCZNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-17(4)18-11-13-20(14-12-18)26-15-21(25)23-24-22(16(2)3)19-9-7-6-8-10-19/h6-14,16-17H,5,15H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide?
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide is sourced from PubChem (CID 4982206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).