3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide

C19H24N4O2 — CID 109041146

IUPAC3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N4O2/c1-14(24)21-17-6-4-5-16(13-17)20-12-11-19(25)22-15-7-9-18(10-8-15)23(2)3/h4-10,13,20H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWMYWLLFRLYDLRJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.15
Rot. Bonds7

About 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide

3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide (PubChem CID 109041146) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
PubChem CID109041146
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
SMILESCC(=O)Nc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C19H24N4O2/c1-14(24)21-17-6-4-5-16(13-17)20-12-11-19(25)22-15-7-9-18(10-8-15)23(2)3/h4-10,13,20H,11-12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWMYWLLFRLYDLRJ-UHFFFAOYSA-N
XLogP3.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
CID 109041254
N-(3-acetamidophenyl)-3-(3-bromo-4-methylanilino)propanamide
CID 109039324
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide (CID 109041146) is 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide is CC(=O)Nc1cccc(NCCC(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is WMYWLLFRLYDLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(24)21-17-6-4-5-16(13-17)20-12-11-19(25)22-15-7-9-18(10-8-15)23(2)3/h4-10,13,20H,11-12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide?
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 109041146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).