2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

C21H29N3O — CID 109007808

IUPAC2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H29N3O/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-22-18-11-13-19(14-12-18)24(6-2)7-3/h8-14,22H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyKVHJEOGCPLQHEQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.45
Rot. Bonds8

About 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide

2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 109007808) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID109007808
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H29N3O/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-22-18-11-13-19(14-12-18)24(6-2)7-3/h8-14,22H,5-7,15H2,1-4H3,(H,23,25)
InChIKeyKVHJEOGCPLQHEQ-UHFFFAOYSA-N
XLogP4.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)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

3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 26527454
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7665500
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide (CID 109007808) is 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CNc1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is KVHJEOGCPLQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-17-10-8-9-16(4)21(17)23-20(25)15-22-18-11-13-19(14-12-18)24(6-2)7-3/h8-14,22H,5-7,15H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 109007808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).