3-(2,4-dimethylpentylamino)benzamide

C14H22N2O — CID 114200196

IUPAC3-(2,4-dimethylpentylamino)benzamide
SMILESCC(C)CC(C)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-10(2)7-11(3)9-16-13-6-4-5-12(8-13)14(15)17/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,15,17)
InChIKeyWWJJOWIUBWGYSO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds6

About 3-(2,4-dimethylpentylamino)benzamide

3-(2,4-dimethylpentylamino)benzamide (PubChem CID 114200196) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2,4-dimethylpentylamino)benzamide.

Molecular Properties

Compound Name3-(2,4-dimethylpentylamino)benzamide
PubChem CID114200196
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(2,4-dimethylpentylamino)benzamide
SMILESCC(C)CC(C)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-10(2)7-11(3)9-16-13-6-4-5-12(8-13)14(15)17/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,15,17)
InChIKeyWWJJOWIUBWGYSO-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-(methylamino)benzamide
CID 18727714
4-(2-methylpentylamino)benzamide
CID 43201058
1-[3-(2-fluoropropylamino)phenyl]ethanone
CID 84666212
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentylamino)benzamide?
The IUPAC name of 3-(2,4-dimethylpentylamino)benzamide (CID 114200196) is 3-(2,4-dimethylpentylamino)benzamide.
What is the SMILES notation for 3-(2,4-dimethylpentylamino)benzamide?
The canonical SMILES for 3-(2,4-dimethylpentylamino)benzamide is CC(C)CC(C)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2,4-dimethylpentylamino)benzamide?
The InChIKey is WWJJOWIUBWGYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)7-11(3)9-16-13-6-4-5-12(8-13)14(15)17/h4-6,8,10-11,16H,7,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-(2,4-dimethylpentylamino)benzamide?
3-(2,4-dimethylpentylamino)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentylamino)benzamide is sourced from PubChem (CID 114200196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).