N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

C15H23N3O2 — CID 109016465

IUPACN-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNCCN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12(19)13-4-6-14(7-5-13)17-15(20)8-9-16-10-11-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20)
InChIKeyFQIUCKANQHMPQW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.37
Rot. Bonds8

About N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 109016465) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
PubChem CID109016465
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNCCN(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12(19)13-4-6-14(7-5-13)17-15(20)8-9-16-10-11-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20)
InChIKeyFQIUCKANQHMPQW-UHFFFAOYSA-N
XLogP1.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.37
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-[3-(dimethylamino)propylamino]propanamide
CID 109017139
N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016434
N-(4-acetylphenyl)-3-(pentylamino)propanamide
CID 109032281
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
N-(4-acetylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343404
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
N-(4-acetamidophenyl)-3-(propylamino)propanamide
CID 109011595
methyl 4-[[3-(4-acetylanilino)-3-oxopropyl]amino]benzoate
CID 109040990
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (CID 109016465) is N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is CC(=O)c1ccc(NC(=O)CCNCCN(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is FQIUCKANQHMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(19)13-4-6-14(7-5-13)17-15(20)8-9-16-10-11-18(2)3/h4-7,16H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 109016465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).