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

C18H30N2O2 — CID 111485450

IUPAC3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)9-10-18(3,22)13-19-17(21)16-8-6-7-15(11-16)12-20(4)5/h6-8,11,14,22H,9-10,12-13H2,1-5H3,(H,19,21)
InChIKeyLBDQVJCUWDNRIS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds8

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

3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (PubChem CID 111485450) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
PubChem CID111485450
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)9-10-18(3,22)13-19-17(21)16-8-6-7-15(11-16)12-20(4)5/h6-8,11,14,22H,9-10,12-13H2,1-5H3,(H,19,21)
InChIKeyLBDQVJCUWDNRIS-UHFFFAOYSA-N
XLogP2.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450164
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327
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-hydroxy-2,5-dimethylhexyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 111485416
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
1-benzyl-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450167
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (CID 111485450) is 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is CC(C)CCC(C)(O)CNC(=O)c1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The InChIKey is LBDQVJCUWDNRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)9-10-18(3,22)13-19-17(21)16-8-6-7-15(11-16)12-20(4)5/h6-8,11,14,22H,9-10,12-13H2,1-5H3,(H,19,21).
What are the key properties of 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide has a molecular weight of 306.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is sourced from PubChem (CID 111485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).