2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide

C14H20N2O3 — CID 4560808

IUPAC2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)C(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)11(3)15-16-14(17)9-19-13-8-6-5-7-12(13)18-4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyJCGMBTRXWVOPKN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide

2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide (PubChem CID 4560808) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
PubChem CID4560808
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)C(C)C
InChIInChI=1S/C14H20N2O3/c1-10(2)11(3)15-16-14(17)9-19-13-8-6-5-7-12(13)18-4/h5-8,10H,9H2,1-4H3,(H,16,17)
InChIKeyJCGMBTRXWVOPKN-UHFFFAOYSA-N
XLogP2.22
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenoxy)-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]acetamide
CID 9315778
3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide
CID 3829481
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218
N-[(E)-3-methylbutan-2-ylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 19685147
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315771
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315700
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315693
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide (CID 4560808) is 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide is COc1ccccc1OCC(=O)NN=C(C)C(C)C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide?
The InChIKey is JCGMBTRXWVOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)11(3)15-16-14(17)9-19-13-8-6-5-7-12(13)18-4/h5-8,10H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide?
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide has a molecular weight of 264.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide is sourced from PubChem (CID 4560808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).