2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide

C19H21NO2 — CID 59498383

IUPAC2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
SMILESCCC(=COc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H21NO2/c1-4-16(13-22-18-11-7-15(3)8-12-18)19(21)20-17-9-5-14(2)6-10-17/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyOXZIDPFMOZPYMF-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.61
Rot. Bonds5

About 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide

2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide (PubChem CID 59498383) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
PubChem CID59498383
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
SMILESCCC(=COc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H21NO2/c1-4-16(13-22-18-11-7-15(3)8-12-18)19(21)20-17-9-5-14(2)6-10-17/h5-13H,4H2,1-3H3,(H,20,21)
InChIKeyOXZIDPFMOZPYMF-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
CID 67545040
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
CID 7120921
(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide
CID 67543894
N-(4-methylphenyl)pentanamide
CID 3662375
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide?
The IUPAC name of 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide (CID 59498383) is 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide?
The canonical SMILES for 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide is CCC(=COc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide?
The InChIKey is OXZIDPFMOZPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-16(13-22-18-11-7-15(3)8-12-18)19(21)20-17-9-5-14(2)6-10-17/h5-13H,4H2,1-3H3,(H,20,21).
What are the key properties of 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide?
2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide has a molecular weight of 295.38 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 59498383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).