3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide

C22H31N3O — CID 109036621

IUPAC3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C22H31N3O/c1-5-18-10-8-9-17(4)22(18)24-21(26)15-16-23-19-11-13-20(14-12-19)25(6-2)7-3/h8-14,23H,5-7,15-16H2,1-4H3,(H,24,26)
InChIKeyAVVMVWDSYUJJAL-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.84
Rot. Bonds9

About 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 109036621) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID109036621
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCNc1ccc(N(CC)CC)cc1
InChIInChI=1S/C22H31N3O/c1-5-18-10-8-9-17(4)22(18)24-21(26)15-16-23-19-11-13-20(14-12-19)25(6-2)7-3/h8-14,23H,5-7,15-16H2,1-4H3,(H,24,26)
InChIKeyAVVMVWDSYUJJAL-UHFFFAOYSA-N
XLogP4.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide 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-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7665500
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 109036621) is 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)CCNc1ccc(N(CC)CC)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is AVVMVWDSYUJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-18-10-8-9-17(4)22(18)24-21(26)15-16-23-19-11-13-20(14-12-19)25(6-2)7-3/h8-14,23H,5-7,15-16H2,1-4H3,(H,24,26).
What are the key properties of 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 353.51 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 109036621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).