(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide

C18H19NO3 — CID 67543894

IUPAC(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide
SMILESCC/C(=C\Oc1ccccc1OC)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-14(18(20)19-15-9-5-4-6-10-15)13-22-17-12-8-7-11-16(17)21-2/h4-13H,3H2,1-2H3,(H,19,20)/b14-13+
InChIKeyZZPZAZFPCHTVKK-BUHFOSPRSA-N
MW297.35 g/mol
LogP4.01
Rot. Bonds6

About (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide

(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide (PubChem CID 67543894) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide
PubChem CID67543894
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide
SMILESCC/C(=C\Oc1ccccc1OC)C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO3/c1-3-14(18(20)19-15-9-5-4-6-10-15)13-22-17-12-8-7-11-16(17)21-2/h4-13H,3H2,1-2H3,(H,19,20)/b14-13+
InChIKeyZZPZAZFPCHTVKK-BUHFOSPRSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
2-ethyl-4-(2-methoxyphenoxy)but-2-enoic acid
CID 77100481
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
3-(2,6-dimethoxyphenoxy)-2-methyl-N,3-diphenylprop-2-enamide
CID 68913637
(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
CID 70790245
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
ethanol;phenylurea
CID 158950745
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
2-(2-methoxyphenyl)-N'-phenyloctanediamide
CID 66892971

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide?
The IUPAC name of (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide (CID 67543894) is (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide.
What is the SMILES notation for (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide?
The canonical SMILES for (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide is CC/C(=C\Oc1ccccc1OC)C(=O)Nc1ccccc1.
What is the InChIKey of (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide?
The InChIKey is ZZPZAZFPCHTVKK-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-14(18(20)19-15-9-5-4-6-10-15)13-22-17-12-8-7-11-16(17)21-2/h4-13H,3H2,1-2H3,(H,19,20)/b14-13+.
What are the key properties of (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide?
(2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide has a molecular weight of 297.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methoxyphenoxy)methylidene]-N-phenylbutanamide is sourced from PubChem (CID 67543894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).