2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide

C15H24N2O3 — CID 43309603

IUPAC2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)CC)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-5-17(4)15(18)11-16-12-8-9-13(19-6-2)14(10-12)20-7-3/h8-10,16H,5-7,11H2,1-4H3
InChIKeyKCZMOQRWMYZKSI-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.37
Rot. Bonds8

About 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide

2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide (PubChem CID 43309603) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
PubChem CID43309603
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
SMILESCCOc1ccc(NCC(=O)N(C)CC)cc1OCC
InChIInChI=1S/C15H24N2O3/c1-5-17(4)15(18)11-16-12-8-9-13(19-6-2)14(10-12)20-7-3/h8-10,16H,5-7,11H2,1-4H3
InChIKeyKCZMOQRWMYZKSI-UHFFFAOYSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
CID 43380729
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
N-ethyl-2-(4-ethylanilino)-N-methylacetamide
CID 43309649
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
N-ethyl-N-methyl-2-(4-methylsulfanylanilino)acetamide
CID 43309578
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
methyl 3-(3,4-diethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643707
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide (CID 43309603) is 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide is CCOc1ccc(NCC(=O)N(C)CC)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide?
The InChIKey is KCZMOQRWMYZKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17(4)15(18)11-16-12-8-9-13(19-6-2)14(10-12)20-7-3/h8-10,16H,5-7,11H2,1-4H3.
What are the key properties of 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide?
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide has a molecular weight of 280.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).