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

C13H20N2O — CID 60842744

IUPACN-(3,4-dimethylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-7-12(9-11(10)2)15-13(16)5-4-8-14-3/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyBFHFFYGTXVFCJQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-4-(methylamino)butanamide (PubChem CID 60842744) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(methylamino)butanamide
PubChem CID60842744
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(3,4-dimethylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C13H20N2O/c1-10-6-7-12(9-11(10)2)15-13(16)5-4-8-14-3/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyBFHFFYGTXVFCJQ-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
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

N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(methylamino)butanamide (CID 60842744) is N-(3,4-dimethylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(methylamino)butanamide?
The InChIKey is BFHFFYGTXVFCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-6-7-12(9-11(10)2)15-13(16)5-4-8-14-3/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-(3,4-dimethylphenyl)-4-(methylamino)butanamide?
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60842744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).