N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide

C15H23NO4 — CID 38956787

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCC(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-11(2)10-20-8-7-15(17)16-13-6-5-12(18-3)9-14(13)19-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyXDLZLZLNEXUFKL-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.70
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide

N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide (PubChem CID 38956787) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
PubChem CID38956787
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCC(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-11(2)10-20-8-7-15(17)16-13-6-5-12(18-3)9-14(13)19-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyXDLZLZLNEXUFKL-UHFFFAOYSA-N
XLogP2.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)butanamide
CID 110297262
4,5-dimethoxy-2-[3-(2-methylpropoxy)propanoylamino]benzamide
CID 51098543
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-[acetyl(propan-2-yl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113115251
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(2,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678307
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide (CID 38956787) is N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide is COc1ccc(NC(=O)CCOCC(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide?
The InChIKey is XDLZLZLNEXUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)10-20-8-7-15(17)16-13-6-5-12(18-3)9-14(13)19-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide?
N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide has a molecular weight of 281.35 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 38956787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).