N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide

C15H24N2O3 — CID 60937433

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-16-9-5-6-15(18)17(2)11-12-7-8-13(19-3)14(10-12)20-4/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyRWAPSKLSROLOIN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.66
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 60937433) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
PubChem CID60937433
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-16-9-5-6-15(18)17(2)11-12-7-8-13(19-3)14(10-12)20-4/h7-8,10,16H,5-6,9,11H2,1-4H3
InChIKeyRWAPSKLSROLOIN-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.66
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

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylpropanamide
CID 100530576
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694
N-[(3,4-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 112792441
methyl 4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]benzoate
CID 37418458
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethylphenyl)-N-methylacetamide
CID 100741439
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 51606705

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide (CID 60937433) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is RWAPSKLSROLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-9-5-6-15(18)17(2)11-12-7-8-13(19-3)14(10-12)20-4/h7-8,10,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 60937433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).