2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide

C15H22N2O5 — CID 113174824

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-11(18)17(10-15(19)16-7-8-20-2)12-5-6-13(21-3)14(9-12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)
InChIKeyQGHQPCNXEHIFFR-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.82
Rot. Bonds8

About 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide

2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 113174824) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
PubChem CID113174824
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O5/c1-11(18)17(10-15(19)16-7-8-20-2)12-5-6-13(21-3)14(9-12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19)
InChIKeyQGHQPCNXEHIFFR-UHFFFAOYSA-N
XLogP0.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide 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

2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
CID 113179416
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113176699
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
2-(N-acetyl-3,4-dimethoxyanilino)-N-(4-acetylphenyl)acetamide
CID 113174936
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113174903
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide (CID 113174824) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is QGHQPCNXEHIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-11(18)17(10-15(19)16-7-8-20-2)12-5-6-13(21-3)14(9-12)22-4/h5-6,9H,7-8,10H2,1-4H3,(H,16,19).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113174824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).