2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide

C13H20N2O2 — CID 79248915

IUPAC2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
SMILESCC(C)[C@@H](CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-7-10-5-3-4-6-11(10)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17)/t12-/m1/s1
InChIKeyWUPPYHYBXCJCDS-GFCCVEGCSA-N
MW236.31 g/mol
LogP0.89
Rot. Bonds6

About 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide

2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide (PubChem CID 79248915) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
PubChem CID79248915
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
SMILESCC(C)[C@@H](CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-7-10-5-3-4-6-11(10)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17)/t12-/m1/s1
InChIKeyWUPPYHYBXCJCDS-GFCCVEGCSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
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2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
CID 81401144
2-[(pent-1-yn-3-ylamino)methyl]benzamide
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2-[(1-hydroxypropan-2-ylamino)methyl]benzoic acid
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2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
2-[[(2-hydroxyacetyl)amino]methyl]benzamide
CID 173201145
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
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2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzamide
CID 43199220

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide?
The IUPAC name of 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide (CID 79248915) is 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide is CC(C)[C@@H](CO)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide?
The InChIKey is WUPPYHYBXCJCDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)12(8-16)15-7-10-5-3-4-6-11(10)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17)/t12-/m1/s1.
What are the key properties of 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide?
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 79248915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).