2-[[butyl(methyl)amino]methyl]benzamide

C13H20N2O — CID 82040849

IUPAC2-[[butyl(methyl)amino]methyl]benzamide
SMILESCCCCN(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O/c1-3-4-9-15(2)10-11-7-5-6-8-12(11)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyJQABXVKCSFUTSH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.02
Rot. Bonds6

About 2-[[butyl(methyl)amino]methyl]benzamide

2-[[butyl(methyl)amino]methyl]benzamide (PubChem CID 82040849) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]benzamide
PubChem CID82040849
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[butyl(methyl)amino]methyl]benzamide
SMILESCCCCN(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O/c1-3-4-9-15(2)10-11-7-5-6-8-12(11)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyJQABXVKCSFUTSH-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N-Methylbenzamide
CID 11954
N,N-Diethylbenzamide
CID 15542
Phthalamide
CID 6956
1(2H)-Isoquinolinone
CID 10284
Phthalimidine
CID 10199
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
N-Propylbenzamide
CID 25354
2-Methylbenzamide
CID 10704
N-Butylphthalimide
CID 73812

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methyl]benzamide?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]benzamide (CID 82040849) is 2-[[butyl(methyl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]benzamide?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]benzamide is CCCCN(C)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]benzamide?
The InChIKey is JQABXVKCSFUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-4-9-15(2)10-11-7-5-6-8-12(11)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[butyl(methyl)amino]methyl]benzamide?
2-[[butyl(methyl)amino]methyl]benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]benzamide is sourced from PubChem (CID 82040849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).