3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide

C14H22N2O — CID 61325560

IUPAC3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCC(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(13(17)15-5)8-12(10)16-9-14(2,3)4/h6-8,16H,9H2,1-5H3,(H,15,17)
InChIKeySUOLERZPXGPHPV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.81
Rot. Bonds3

About 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide

3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide (PubChem CID 61325560) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
PubChem CID61325560
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCC(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(13(17)15-5)8-12(10)16-9-14(2,3)4/h6-8,16H,9H2,1-5H3,(H,15,17)
InChIKeySUOLERZPXGPHPV-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
3-[[5-bromo-6-(2,2-dimethylpropylamino)-2-ethylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide
CID 58928535
3-[[6-(2,2-dimethylpropylamino)-5-nitropyrimidin-4-yl]amino]-N,4-dimethylbenzamide
CID 10270615
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
3-benzamido-N,4-dimethylbenzamide
CID 17226324

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide (CID 61325560) is 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCC(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide?
The InChIKey is SUOLERZPXGPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-7-11(13(17)15-5)8-12(10)16-9-14(2,3)4/h6-8,16H,9H2,1-5H3,(H,15,17).
What are the key properties of 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide?
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 61325560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).