3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

C15H25ClN2O — CID 119430139

IUPAC3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1ccc(C)cc1C.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-5-6-14(13(2)11-12)7-8-15(18)17-10-4-9-16-3;/h5-6,11,16H,4,7-10H2,1-3H3,(H,17,18);1H
InChIKeyRFZUVZUJIQDIQU-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.38
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride

3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119430139) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119430139
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCc1ccc(C)cc1C.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-12-5-6-14(13(2)11-12)7-8-15(18)17-10-4-9-16-3;/h5-6,11,16H,4,7-10H2,1-3H3,(H,17,18);1H
InChIKeyRFZUVZUJIQDIQU-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
3-(2,4-dimethylphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119430139) is 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)CCc1ccc(C)cc1C.Cl.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is RFZUVZUJIQDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-12-5-6-14(13(2)11-12)7-8-15(18)17-10-4-9-16-3;/h5-6,11,16H,4,7-10H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119430139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).