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

C23H31N3O2 — CID 113131889

IUPAC3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O2/c1-6-25(7-2)21-10-12-22(13-11-21)26(19(5)27)15-14-23(28)24-20-9-8-17(3)18(4)16-20/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28)
InChIKeyBQPSNHKJPHDFJN-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.53
Rot. Bonds8

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

3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113131889) 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-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
PubChem CID113131889
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
SMILESCCN(CC)c1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1
InChIInChI=1S/C23H31N3O2/c1-6-25(7-2)21-10-12-22(13-11-21)26(19(5)27)15-14-23(28)24-20-9-8-17(3)18(4)16-20/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28)
InChIKeyBQPSNHKJPHDFJN-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide (CID 113131889) is 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide is CCN(CC)c1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1.
What is the InChIKey of 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is BQPSNHKJPHDFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-25(7-2)21-10-12-22(13-11-21)26(19(5)27)15-14-23(28)24-20-9-8-17(3)18(4)16-20/h8-13,16H,6-7,14-15H2,1-5H3,(H,24,28).
What are the key properties of 3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide?
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.53, 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-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113131889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).