2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide

C22H29N3O2 — CID 113168581

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-24(7-2)20-10-8-19(9-11-20)23-22(27)15-25(18(5)26)21-13-16(3)12-17(4)14-21/h8-14H,6-7,15H2,1-5H3,(H,23,27)
InChIKeyKWKIQGLQUZQKSZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.14
Rot. Bonds7

About 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide

2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 113168581) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID113168581
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-24(7-2)20-10-8-19(9-11-20)23-22(27)15-25(18(5)26)21-13-16(3)12-17(4)14-21/h8-14H,6-7,15H2,1-5H3,(H,23,27)
InChIKeyKWKIQGLQUZQKSZ-UHFFFAOYSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]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-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(N-acetyl-3,5-dimethylanilino)-N-(4-acetylphenyl)acetamide
CID 113168572
2-(N-acetyl-3,5-dimethylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113168527
2-(N-acetyl-3,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 113168520
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(4-ethoxyphenyl)acetamide
CID 113180480
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-(N-acetyl-2,4,6-trimethylanilino)-N-(4-methylphenyl)acetamide
CID 113170003
methyl 3-[[2-[N-acetyl-4-(diethylamino)anilino]acetyl]amino]benzoate
CID 113176932
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide (CID 113168581) is 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(C(C)=O)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is KWKIQGLQUZQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-24(7-2)20-10-8-19(9-11-20)23-22(27)15-25(18(5)26)21-13-16(3)12-17(4)14-21/h8-14H,6-7,15H2,1-5H3,(H,23,27).
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 113168581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).