3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

C17H28N2O2 — CID 111485472

IUPAC3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)9-10-17(3,21)12-18-16(20)14-7-6-8-15(11-14)19(4)5/h6-8,11,13,21H,9-10,12H2,1-5H3,(H,18,20)
InChIKeyHVTBBEBAXUSBBX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (PubChem CID 111485472) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
PubChem CID111485472
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)9-10-17(3,21)12-18-16(20)14-7-6-8-15(11-14)19(4)5/h6-8,11,13,21H,9-10,12H2,1-5H3,(H,18,20)
InChIKeyHVTBBEBAXUSBBX-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312
N-(2-hydroxy-2,5-dimethylhexyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111485159
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-(2-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
N-(4-amino-2-methylbutyl)-3-(dimethylamino)benzamide
CID 66090676
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (CID 111485472) is 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is CC(C)CCC(C)(O)CNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The InChIKey is HVTBBEBAXUSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)9-10-17(3,21)12-18-16(20)14-7-6-8-15(11-14)19(4)5/h6-8,11,13,21H,9-10,12H2,1-5H3,(H,18,20).
What are the key properties of 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is sourced from PubChem (CID 111485472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).