3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide

C13H18Cl2N2O — CID 119503882

IUPAC3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(13(18)17-6-5-16-2)7-10-3-4-11(14)8-12(10)15/h3-4,8-9,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyXJCLIIQIHJEFRS-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.51
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide

3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119503882) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
PubChem CID119503882
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-9(13(18)17-6-5-16-2)7-10-3-4-11(14)8-12(10)15/h3-4,8-9,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyXJCLIIQIHJEFRS-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.51
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

N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 86970189
3-(2,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 144669432
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 120506356
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
1-(2,4-dichlorophenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586741
(2S)-N-(1H-benzimidazol-2-ylmethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide
CID 130467580
2-[3-[[3-(2,4-dichlorophenyl)-2-methylpropanoyl]amino]cyclobutyl]acetic acid
CID 166254759
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide (CID 119503882) is 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)C(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is XJCLIIQIHJEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-9(13(18)17-6-5-16-2)7-10-3-4-11(14)8-12(10)15/h3-4,8-9,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide?
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 289.21 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119503882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).