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

C23H31N3O2 — CID 113131894

IUPAC3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-19-8-10-20(11-9-19)24-23(28)16-17-26(18(4)27)22-14-12-21(13-15-22)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,24,28)
InChIKeyWMDWPIYHQADBLP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.48
Rot. Bonds9

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

3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide (PubChem CID 113131894) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
PubChem CID113131894
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-5-19-8-10-20(11-9-19)24-23(28)16-17-26(18(4)27)22-14-12-21(13-15-22)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,24,28)
InChIKeyWMDWPIYHQADBLP-UHFFFAOYSA-N
XLogP4.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.48
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

3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide (CID 113131894) is 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide?
The InChIKey is WMDWPIYHQADBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-19-8-10-20(11-9-19)24-23(28)16-17-26(18(4)27)22-14-12-21(13-15-22)25(6-2)7-3/h8-15H,5-7,16-17H2,1-4H3,(H,24,28).
What are the key properties of 3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide?
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.48, 9 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-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113131894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).