N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide

C17H27N3O2 — CID 108944231

IUPACN-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)NCCCN(C)C)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)17(14(3)10-12)19-16(22)11-15(21)18-7-6-8-20(4)5/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQRBZLNTXGWHFFZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.01
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide

N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108944231) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108944231
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)NCCCN(C)C)c(C)c1
InChIInChI=1S/C17H27N3O2/c1-12-9-13(2)17(14(3)10-12)19-16(22)11-15(21)18-7-6-8-20(4)5/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyQRBZLNTXGWHFFZ-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109096578
N'-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944268
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108944231) is N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)NCCCN(C)C)c(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is QRBZLNTXGWHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-9-13(2)17(14(3)10-12)19-16(22)11-15(21)18-7-6-8-20(4)5/h9-10H,6-8,11H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 305.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108944231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).