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

N,N,N',N'-Tetraethylphthalamide
CID 66526
2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 827789
1-(2-Methylbenzoyl)-4-piperidinecarboxamide
CID 1360579
N,N'-dipropylphthalamide
CID 2304653
N-(1,1-Dimethyl-2-hydroxyethyl)benzamide
CID 639965
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one
CID 57328040
1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
CID 57328060
2-(2-hydroxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 122186784
N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3739314
AC1LD3PE
CID 641845
4-fluoro-N-(2-hydroxy-1,1-dimethylethyl)benzamide
CID 884880

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).