3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride

C16H27ClN2O — CID 2902080

IUPAC3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1cc(C)ccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-10-18(4)11-9-16(19)17-15-12-13(2)7-8-14(15)3;/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,19);1H
InChIKeyQSZRFXVPUWOZAQ-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.79
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride

3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride (PubChem CID 2902080) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
PubChem CID2902080
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
SMILESCCCCN(C)CCC(=O)Nc1cc(C)ccc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-5-6-10-18(4)11-9-16(19)17-15-12-13(2)7-8-14(15)3;/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,19);1H
InChIKeyQSZRFXVPUWOZAQ-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
CID 171154464
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propylamino]propanoic acid
CID 82326667
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride (CID 2902080) is 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride is CCCCN(C)CCC(=O)Nc1cc(C)ccc1C.Cl.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is QSZRFXVPUWOZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-5-6-10-18(4)11-9-16(19)17-15-12-13(2)7-8-14(15)3;/h7-8,12H,5-6,9-11H2,1-4H3,(H,17,19);1H.
What are the key properties of 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride?
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 2902080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).