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

C15H24N2O — CID 119430140

IUPAC3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/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)
InChIKeyBQKLGHFERQTAOD-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds7

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

3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide (PubChem CID 119430140) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
PubChem CID119430140
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
SMILESCNCCCNC(=O)CCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O/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)
InChIKeyBQKLGHFERQTAOD-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.96
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;hydrochloride
CID 119430139
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
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)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391223
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
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
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 17456120
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylphenyl)propanamide
CID 18129704

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide (CID 119430140) is 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide is CNCCCNC(=O)CCc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide?
The InChIKey is BQKLGHFERQTAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/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).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide?
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 1.96, 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 is sourced from PubChem (CID 119430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).