N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide

C14H22N2O2 — CID 60842237

IUPACN-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-8-12(11(2)14(10)18-4)16-13(17)6-5-9-15-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyGCUNPXCHVWYBGH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds6

About N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide

N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide (PubChem CID 60842237) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
PubChem CID60842237
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-7-8-12(11(2)14(10)18-4)16-13(17)6-5-9-15-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyGCUNPXCHVWYBGH-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
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

4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
N-(4-methoxy-2,3,5-trimethylphenyl)-3-(methylamino)propanamide
CID 96676162
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
methyl 3,4-dimethoxy-5-[4-(methylamino)butanoylamino]benzoate
CID 119803077
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide (CID 60842237) is N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C)c(OC)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide?
The InChIKey is GCUNPXCHVWYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-8-12(11(2)14(10)18-4)16-13(17)6-5-9-15-3/h7-8,15H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide?
N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).