2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide

C24H33N3O2 — CID 113176902

IUPAC2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C24H33N3O2/c1-6-19-11-10-12-20(7-2)24(19)25-23(29)17-27(18(5)28)22-15-13-21(14-16-22)26(8-3)9-4/h10-16H,6-9,17H2,1-5H3,(H,25,29)
InChIKeyFJXBTCVYJWVFBK-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.65
Rot. Bonds9

About 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide

2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide (PubChem CID 113176902) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
PubChem CID113176902
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C24H33N3O2/c1-6-19-11-10-12-20(7-2)24(19)25-23(29)17-27(18(5)28)22-15-13-21(14-16-22)26(8-3)9-4/h10-16H,6-9,17H2,1-5H3,(H,25,29)
InChIKeyFJXBTCVYJWVFBK-UHFFFAOYSA-N
XLogP4.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.65
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-3,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113168344
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
2-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 113176883
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113174436
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
2-(N-acetyl-3,4-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113179486
methyl 3-[[2-[N-acetyl-4-(diethylamino)anilino]acetyl]amino]benzoate
CID 113176932
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
2-(N-acetyl-2,4-dimethylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113167956
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
2-(N-acetyl-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide (CID 113176902) is 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)CN(C(C)=O)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is FJXBTCVYJWVFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-19-11-10-12-20(7-2)24(19)25-23(29)17-27(18(5)28)22-15-13-21(14-16-22)26(8-3)9-4/h10-16H,6-9,17H2,1-5H3,(H,25,29).
What are the key properties of 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide?
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(diethylamino)anilino]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 113176902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).