N-benzyl-N-methyl-4-(methylamino)butanamide

C13H20N2O — CID 60842037

IUPACN-benzyl-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-14-10-6-9-13(16)15(2)11-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKeyVAEJVOYQQLANNQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.64
Rot. Bonds6

About N-benzyl-N-methyl-4-(methylamino)butanamide

N-benzyl-N-methyl-4-(methylamino)butanamide (PubChem CID 60842037) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(methylamino)butanamide
PubChem CID60842037
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-benzyl-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-14-10-6-9-13(16)15(2)11-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3
InChIKeyVAEJVOYQQLANNQ-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-benzyl-N-methylpentanamide
CID 4629611
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-methyl-4-(methylamino)-N-[2-(N-methylanilino)ethyl]butanamide
CID 119881664
N-benzyl-3-(butylamino)-N-methylpropanamide
CID 109012383
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 60937433
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-benzyl-N-methyl-4-(methylamino)butanamide (CID 60842037) is N-benzyl-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-benzyl-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-(methylamino)butanamide?
The InChIKey is VAEJVOYQQLANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-10-6-9-13(16)15(2)11-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-11H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(methylamino)butanamide?
N-benzyl-N-methyl-4-(methylamino)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 60842037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).