2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide

C13H20N2O2 — CID 65106384

IUPAC2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
SMILESCCC(C)(O)CNCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-13(2,17)9-15-8-10-6-4-5-7-11(10)12(14)16/h4-7,15,17H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyARVNQNFITZQFPL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.04
Rot. Bonds6

About 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide

2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide (PubChem CID 65106384) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
PubChem CID65106384
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide
SMILESCCC(C)(O)CNCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-13(2,17)9-15-8-10-6-4-5-7-11(10)12(14)16/h4-7,15,17H,3,8-9H2,1-2H3,(H2,14,16)
InChIKeyARVNQNFITZQFPL-UHFFFAOYSA-N
XLogP1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The IUPAC name of 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide (CID 65106384) is 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The canonical SMILES for 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide is CCC(C)(O)CNCc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The InChIKey is ARVNQNFITZQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(2,17)9-15-8-10-6-4-5-7-11(10)12(14)16/h4-7,15,17H,3,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide?
2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-methylbutyl)amino]methyl]benzamide is sourced from PubChem (CID 65106384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).