3-[(dipropylamino)methyl]benzamide

C14H22N2O — CID 82041313

IUPAC3-[(dipropylamino)methyl]benzamide
SMILESCCCN(CCC)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-3-8-16(9-4-2)11-12-6-5-7-13(10-12)14(15)17/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,15,17)
InChIKeyKZVOOKPUOJDMGK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.41
Rot. Bonds7

About 3-[(dipropylamino)methyl]benzamide

3-[(dipropylamino)methyl]benzamide (PubChem CID 82041313) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]benzamide
PubChem CID82041313
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(dipropylamino)methyl]benzamide
SMILESCCCN(CCC)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-3-8-16(9-4-2)11-12-6-5-7-13(10-12)14(15)17/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,15,17)
InChIKeyKZVOOKPUOJDMGK-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377
1-[3-[(dipropylamino)methyl]phenyl]-2-hydroxyethanone
CID 22569822
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625
3-[[(3-butanoylphenyl)methyl-ethylamino]methyl]benzamide;ethane;nonane
CID 142139143
2-[(3-carbamothioylphenyl)methyl-propylamino]-N-methylacetamide
CID 54984391
3-[3-(diethylamino)propyl]benzamide
CID 175291972
3-[[piperidin-4-yl(propyl)amino]methyl]benzamide;hydrochloride
CID 119933024
3-[[2-piperidin-1-ylethyl(propyl)amino]methyl]benzoic acid
CID 122034203
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
3-(diethylaminomethyl)benzohydrazide
CID 63571195

Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]benzamide?
The IUPAC name of 3-[(dipropylamino)methyl]benzamide (CID 82041313) is 3-[(dipropylamino)methyl]benzamide.
What is the SMILES notation for 3-[(dipropylamino)methyl]benzamide?
The canonical SMILES for 3-[(dipropylamino)methyl]benzamide is CCCN(CCC)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(dipropylamino)methyl]benzamide?
The InChIKey is KZVOOKPUOJDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-8-16(9-4-2)11-12-6-5-7-13(10-12)14(15)17/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(dipropylamino)methyl]benzamide?
3-[(dipropylamino)methyl]benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]benzamide is sourced from PubChem (CID 82041313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).