2-phenoxy-N-(1-phenylbutylideneamino)acetamide

C18H20N2O2 — CID 4504104

IUPAC2-phenoxy-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-9-17(15-10-5-3-6-11-15)19-20-18(21)14-22-16-12-7-4-8-13-16/h3-8,10-13H,2,9,14H2,1H3,(H,20,21)
InChIKeyLREHDTSGGBBRNN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds7

About 2-phenoxy-N-(1-phenylbutylideneamino)acetamide

2-phenoxy-N-(1-phenylbutylideneamino)acetamide (PubChem CID 4504104) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenoxy-N-(1-phenylbutylideneamino)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(1-phenylbutylideneamino)acetamide
PubChem CID4504104
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-phenoxy-N-(1-phenylbutylideneamino)acetamide
SMILESCCCC(=NNC(=O)COc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-9-17(15-10-5-3-6-11-15)19-20-18(21)14-22-16-12-7-4-8-13-16/h3-8,10-13H,2,9,14H2,1H3,(H,20,21)
InChIKeyLREHDTSGGBBRNN-UHFFFAOYSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
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-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
2-(4-methoxyphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 3559145
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
(4E)-4-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 5341278
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
4-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4247588

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1-phenylbutylideneamino)acetamide?
The IUPAC name of 2-phenoxy-N-(1-phenylbutylideneamino)acetamide (CID 4504104) is 2-phenoxy-N-(1-phenylbutylideneamino)acetamide.
What is the SMILES notation for 2-phenoxy-N-(1-phenylbutylideneamino)acetamide?
The canonical SMILES for 2-phenoxy-N-(1-phenylbutylideneamino)acetamide is CCCC(=NNC(=O)COc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenoxy-N-(1-phenylbutylideneamino)acetamide?
The InChIKey is LREHDTSGGBBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-9-17(15-10-5-3-6-11-15)19-20-18(21)14-22-16-12-7-4-8-13-16/h3-8,10-13H,2,9,14H2,1H3,(H,20,21).
What are the key properties of 2-phenoxy-N-(1-phenylbutylideneamino)acetamide?
2-phenoxy-N-(1-phenylbutylideneamino)acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1-phenylbutylideneamino)acetamide is sourced from PubChem (CID 4504104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).