3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide

C15H25N3O — CID 109016422

IUPAC3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCCN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-12-5-6-13(2)14(11-12)17-15(19)7-8-16-9-10-18(3)4/h5-6,11,16H,7-10H2,1-4H3,(H,17,19)
InChIKeyUPDMEYRPOILOLM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.78
Rot. Bonds7

About 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide

3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 109016422) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID109016422
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCCN(C)C)c1
InChIInChI=1S/C15H25N3O/c1-12-5-6-13(2)14(11-12)17-15(19)7-8-16-9-10-18(3)4/h5-6,11,16H,7-10H2,1-4H3,(H,17,19)
InChIKeyUPDMEYRPOILOLM-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 108994489
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide (CID 109016422) is 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCNCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is UPDMEYRPOILOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-5-6-13(2)14(11-12)17-15(19)7-8-16-9-10-18(3)4/h5-6,11,16H,7-10H2,1-4H3,(H,17,19).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide?
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 109016422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).