N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide

C16H24N4O3 — CID 108944268

IUPACN'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H24N4O3/c1-12(21)18-13-5-7-14(8-6-13)19-16(23)11-15(22)17-9-4-10-20(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyYIALBUHJODKUAM-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.04
Rot. Bonds8

About N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide

N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide (PubChem CID 108944268) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
PubChem CID108944268
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H24N4O3/c1-12(21)18-13-5-7-14(8-6-13)19-16(23)11-15(22)17-9-4-10-20(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyYIALBUHJODKUAM-UHFFFAOYSA-N
XLogP1.04
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide (CID 108944268) is N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide is CC(=O)Nc1ccc(NC(=O)CC(=O)NCCCN(C)C)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
The InChIKey is YIALBUHJODKUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12(21)18-13-5-7-14(8-6-13)19-16(23)11-15(22)17-9-4-10-20(2)3/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide?
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide has a molecular weight of 320.39 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide is sourced from PubChem (CID 108944268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).