2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide

C13H20N2O2 — CID 113476297

IUPAC2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccccc1C(N)=O)C(C)(C)CO
InChIInChI=1S/C13H20N2O2/c1-13(2,9-16)15(3)8-10-6-4-5-7-11(10)12(14)17/h4-7,16H,8-9H2,1-3H3,(H2,14,17)
InChIKeyIMVPHAIKZCGEJQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.99
Rot. Bonds5

About 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide

2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide (PubChem CID 113476297) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
PubChem CID113476297
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccccc1C(N)=O)C(C)(C)CO
InChIInChI=1S/C13H20N2O2/c1-13(2,9-16)15(3)8-10-6-4-5-7-11(10)12(14)17/h4-7,16H,8-9H2,1-3H3,(H2,14,17)
InChIKeyIMVPHAIKZCGEJQ-UHFFFAOYSA-N
XLogP0.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693
2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
CID 156768959
2-methyl-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]propan-1-ol
CID 115882420
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064878
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
CID 114952943
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
2-[(2R)-2-aminobutyl]benzamide
CID 96928036

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide?
The IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide (CID 113476297) is 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide?
The canonical SMILES for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide is CN(Cc1ccccc1C(N)=O)C(C)(C)CO.
What is the InChIKey of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide?
The InChIKey is IMVPHAIKZCGEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,9-16)15(3)8-10-6-4-5-7-11(10)12(14)17/h4-7,16H,8-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide?
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide is sourced from PubChem (CID 113476297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).