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

C15H24N2O2 — CID 112686545

IUPAC3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-4-5-14(10-13(12)2)11-16-7-6-15(18)17-8-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyCSRBYBZNNBTGNR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.55
Rot. Bonds8

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

3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 112686545) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID112686545
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-4-5-14(10-13(12)2)11-16-7-6-15(18)17-8-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyCSRBYBZNNBTGNR-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.55
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

3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
3-[(3-chloro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 106816742
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 112686545) is 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is CSRBYBZNNBTGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-4-5-14(10-13(12)2)11-16-7-6-15(18)17-8-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112686545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).