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

C24H33N3O2 — CID 113131897

IUPAC3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1
InChIInChI=1S/C24H33N3O2/c1-6-26(7-2)20-12-14-21(15-13-20)27(19(5)28)17-16-24(29)25-23-11-9-8-10-22(23)18(3)4/h8-15,18H,6-7,16-17H2,1-5H3,(H,25,29)
InChIKeyIWZSICDQZQRINN-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.04
Rot. Bonds9

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

3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113131897) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113131897
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1
InChIInChI=1S/C24H33N3O2/c1-6-26(7-2)20-12-14-21(15-13-20)27(19(5)28)17-16-24(29)25-23-11-9-8-10-22(23)18(3)4/h8-15,18H,6-7,16-17H2,1-5H3,(H,25,29)
InChIKeyIWZSICDQZQRINN-UHFFFAOYSA-N
XLogP5.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.04
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-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113128043
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-[N-acetyl-4-(diethylamino)anilino]propanoic acid
CID 82320400
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide (CID 113131897) is 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide is CCN(CC)c1ccc(N(CCC(=O)Nc2ccccc2C(C)C)C(C)=O)cc1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is IWZSICDQZQRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-26(7-2)20-12-14-21(15-13-20)27(19(5)28)17-16-24(29)25-23-11-9-8-10-22(23)18(3)4/h8-15,18H,6-7,16-17H2,1-5H3,(H,25,29).
What are the key properties of 3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide?
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 5.04, 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-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113131897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).