N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide

C15H22N2O2 — CID 143013806

IUPACN,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide
SMILESC=CN(C)C.CCN(C(C)=O)c1cccc(C=O)c1
InChIInChI=1S/C11H13NO2.C4H9N/c1-3-12(9(2)14)11-6-4-5-10(7-11)8-13;1-4-5(2)3/h4-8H,3H2,1-2H3;4H,1H2,2-3H3
InChIKeyIXNWGZAWIRXUKW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds4

About N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide

N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide (PubChem CID 143013806) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide.

Molecular Properties

Compound NameN,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide
PubChem CID143013806
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide
SMILESC=CN(C)C.CCN(C(C)=O)c1cccc(C=O)c1
InChIInChI=1S/C11H13NO2.C4H9N/c1-3-12(9(2)14)11-6-4-5-10(7-11)8-13;1-4-5(2)3/h4-8H,3H2,1-2H3;4H,1H2,2-3H3
InChIKeyIXNWGZAWIRXUKW-UHFFFAOYSA-N
XLogP2.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
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 N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide?
The IUPAC name of N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide (CID 143013806) is N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide.
What is the SMILES notation for N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide?
The canonical SMILES for N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide is C=CN(C)C.CCN(C(C)=O)c1cccc(C=O)c1.
What is the InChIKey of N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide?
The InChIKey is IXNWGZAWIRXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.C4H9N/c1-3-12(9(2)14)11-6-4-5-10(7-11)8-13;1-4-5(2)3/h4-8H,3H2,1-2H3;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide?
N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethenamine;N-ethyl-N-(3-formylphenyl)acetamide is sourced from PubChem (CID 143013806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).