2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide

C14H18N2O2 — CID 138464179

IUPAC2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(/C=C\c1ccccc1C=O)CC(=O)N(C)C
InChIInChI=1S/C14H18N2O2/c1-15(2)14(18)10-16(3)9-8-12-6-4-5-7-13(12)11-17/h4-9,11H,10H2,1-3H3/b9-8-
InChIKeyCBTBBVCJVVHTNB-HJWRWDBZSA-N
MW246.31 g/mol
LogP1.49
Rot. Bonds5

About 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide

2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 138464179) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide
PubChem CID138464179
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(/C=C\c1ccccc1C=O)CC(=O)N(C)C
InChIInChI=1S/C14H18N2O2/c1-15(2)14(18)10-16(3)9-8-12-6-4-5-7-13(12)11-17/h4-9,11H,10H2,1-3H3/b9-8-
InChIKeyCBTBBVCJVVHTNB-HJWRWDBZSA-N
XLogP1.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide (CID 138464179) is 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide is CN(/C=C\c1ccccc1C=O)CC(=O)N(C)C.
What is the InChIKey of 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is CBTBBVCJVVHTNB-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15(2)14(18)10-16(3)9-8-12-6-4-5-7-13(12)11-17/h4-9,11H,10H2,1-3H3/b9-8-.
What are the key properties of 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide?
2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 246.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-(2-formylphenyl)ethenyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 138464179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).