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

C22H29N3O2 — CID 113131881

IUPAC3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)19-11-13-20(14-12-19)25(18(4)26)16-15-22(27)23-21-10-8-7-9-17(21)3/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)
InChIKeyJGKJVMATIJUHDJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.22
Rot. Bonds8

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

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide (PubChem CID 113131881) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
PubChem CID113131881
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C)C(C)=O)cc1
InChIInChI=1S/C22H29N3O2/c1-5-24(6-2)19-11-13-20(14-12-19)25(18(4)26)16-15-22(27)23-21-10-8-7-9-17(21)3/h7-14H,5-6,15-16H2,1-4H3,(H,23,27)
InChIKeyJGKJVMATIJUHDJ-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-(N-acetyl-2,3-dimethylanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113125142
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide (CID 113131881) is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide is CCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C)C(C)=O)cc1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide?
The InChIKey is JGKJVMATIJUHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-24(6-2)19-11-13-20(14-12-19)25(18(4)26)16-15-22(27)23-21-10-8-7-9-17(21)3/h7-14H,5-6,15-16H2,1-4H3,(H,23,27).
What are the key properties of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide?
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113131881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).