2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide

C14H20N2O3 — CID 89486960

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide
SMILESCOc1ccc(CC(=O)/N=C/CN(C)C)cc1OC
InChIInChI=1S/C14H20N2O3/c1-16(2)8-7-15-14(17)10-11-5-6-12(18-3)13(9-11)19-4/h5-7,9H,8,10H2,1-4H3/b15-7+
InChIKeyDCYPHJUHIMPOFI-VIZOYTHASA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide (PubChem CID 89486960) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide
PubChem CID89486960
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide
SMILESCOc1ccc(CC(=O)/N=C/CN(C)C)cc1OC
InChIInChI=1S/C14H20N2O3/c1-16(2)8-7-15-14(17)10-11-5-6-12(18-3)13(9-11)19-4/h5-7,9H,8,10H2,1-4H3/b15-7+
InChIKeyDCYPHJUHIMPOFI-VIZOYTHASA-N
XLogP1.41
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
[(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-1-enyl] acetate
CID 10422217
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
N-[4-(amino-hydroxy-oxo-λ6-sulfanylidene)cyclohexa-2,5-dien-1-ylidene]-2-(3,4-dimethoxyphenyl)acetamide
CID 126419111
1-diazo-3-(3,4-dimethoxyphenyl)propan-2-one
CID 137099066
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(3,4-dimethoxyphenyl)acetamide
CID 4118668

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide (CID 89486960) is 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide is COc1ccc(CC(=O)/N=C/CN(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide?
The InChIKey is DCYPHJUHIMPOFI-VIZOYTHASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)8-7-15-14(17)10-11-5-6-12(18-3)13(9-11)19-4/h5-7,9H,8,10H2,1-4H3/b15-7+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide is sourced from PubChem (CID 89486960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).