2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide

C20H24N2O2 — CID 3304000

IUPAC2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)COc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-4-8-18(17-9-6-5-7-10-17)21-22-20(23)14-24-19-13-15(2)11-12-16(19)3/h5-7,9-13H,4,8,14H2,1-3H3,(H,22,23)
InChIKeySEQNOELYQXBLJT-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide

2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide (PubChem CID 3304000) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
PubChem CID3304000
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)COc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-4-8-18(17-9-6-5-7-10-17)21-22-20(23)14-24-19-13-15(2)11-12-16(19)3/h5-7,9-13H,4,8,14H2,1-3H3,(H,22,23)
InChIKeySEQNOELYQXBLJT-UHFFFAOYSA-N
XLogP4.00
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.00
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-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
CID 3323455
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
2-(2,5-dimethylphenoxy)-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]acetamide
CID 9316036
2-(2,5-dimethylphenoxy)-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]acetamide
CID 7984935
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide (CID 3304000) is 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide is CCCC(=NNC(=O)COc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide?
The InChIKey is SEQNOELYQXBLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-8-18(17-9-6-5-7-10-17)21-22-20(23)14-24-19-13-15(2)11-12-16(19)3/h5-7,9-13H,4,8,14H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide?
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide has a molecular weight of 324.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide is sourced from PubChem (CID 3304000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).