2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

C23H31N3O2 — CID 113169389

IUPAC2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(N(CC)CC)cc2C)C(C)=O)cc1
InChIInChI=1S/C23H31N3O2/c1-6-19-9-11-20(12-10-19)26(18(5)27)16-23(28)24-22-14-13-21(15-17(22)4)25(7-2)8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28)
InChIKeyXRHRFDHHPHJBIR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.40
Rot. Bonds8

About 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 113169389) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID113169389
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(N(CC)CC)cc2C)C(C)=O)cc1
InChIInChI=1S/C23H31N3O2/c1-6-19-9-11-20(12-10-19)26(18(5)27)16-23(28)24-22-14-13-21(15-17(22)4)25(7-2)8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28)
InChIKeyXRHRFDHHPHJBIR-UHFFFAOYSA-N
XLogP4.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.40
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-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169295
2-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113169375
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
2-(N-acetyl-4-ethylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113169304
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
2-(N-acetyl-4-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113173001
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 113169389) is 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCc1ccc(N(CC(=O)Nc2ccc(N(CC)CC)cc2C)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is XRHRFDHHPHJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-19-9-11-20(12-10-19)26(18(5)27)16-23(28)24-22-14-13-21(15-17(22)4)25(7-2)8-3/h9-15H,6-8,16H2,1-5H3,(H,24,28).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 113169389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).