N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide

C16H25N3O2 — CID 109017139

IUPACN-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNCCCN(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)9-11-17-10-4-12-19(2)3/h5-8,17H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyBAZGHENPNUIDTG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.76
Rot. Bonds9

About N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide

N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide (PubChem CID 109017139) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
PubChem CID109017139
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNCCCN(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)9-11-17-10-4-12-19(2)3/h5-8,17H,4,9-12H2,1-3H3,(H,18,21)
InChIKeyBAZGHENPNUIDTG-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016465
N-(4-acetylphenyl)-3-(pentylamino)propanamide
CID 109032281
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
methyl 3-[3-[3-(dimethylamino)propylamino]propanoylamino]benzoate
CID 109017143
N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016434
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343404

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide (CID 109017139) is N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide is CC(=O)c1ccc(NC(=O)CCNCCCN(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide?
The InChIKey is BAZGHENPNUIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)9-11-17-10-4-12-19(2)3/h5-8,17H,4,9-12H2,1-3H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide?
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide is sourced from PubChem (CID 109017139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).