N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide

C18H20N2O2 — CID 3593983

IUPACN-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
SMILESCCC(=NNC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-17(15-11-9-14(2)10-12-15)19-20-18(21)13-22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21)
InChIKeyPXESKXZDOWFRPT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide

N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide (PubChem CID 3593983) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
PubChem CID3593983
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
SMILESCCC(=NNC(=O)COc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-17(15-11-9-14(2)10-12-15)19-20-18(21)13-22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21)
InChIKeyPXESKXZDOWFRPT-UHFFFAOYSA-N
XLogP3.30
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
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-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-(4-methylphenoxy)-N-(1-phenylpentylideneamino)acetamide
CID 4634362
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6385300
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide (CID 3593983) is N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide is CCC(=NNC(=O)COc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide?
The InChIKey is PXESKXZDOWFRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-17(15-11-9-14(2)10-12-15)19-20-18(21)13-22-16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide?
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide has a molecular weight of 296.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 3593983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).