3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide

C17H28N2O2 — CID 111488384

IUPAC3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN(C)CCC(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)11-18-17(21)16-7-5-6-15(10-16)12-19(4)9-8-14(3)20/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3,(H,18,21)
InChIKeyZXHAMNOQGGCEEL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.28
Rot. Bonds8

About 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide

3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 111488384) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
PubChem CID111488384
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CN(C)CCC(C)O)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)11-18-17(21)16-7-5-6-15(10-16)12-19(4)9-8-14(3)20/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3,(H,18,21)
InChIKeyZXHAMNOQGGCEEL-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[[methyl(2-methylpropyl)amino]methyl]benzohydrazide
CID 63572517
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
(E)-3-[3-[[3-hydroxybutyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 113499840
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
3-(chloromethyl)-N-[2-(dimethylamino)propyl]benzamide
CID 54912956
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide (CID 111488384) is 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CN(C)CCC(C)O)c1.
What is the InChIKey of 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is ZXHAMNOQGGCEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)11-18-17(21)16-7-5-6-15(10-16)12-19(4)9-8-14(3)20/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide?
3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 292.42 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 111488384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).