3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide

C13H20N2O2 — CID 66089913

IUPAC3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
SMILESCC(CCO)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-10(5-6-16)8-15-9-11-3-2-4-12(7-11)13(14)17/h2-4,7,10,15-16H,5-6,8-9H2,1H3,(H2,14,17)
InChIKeyDDTZHNYCCHBFFA-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.89
Rot. Bonds7

About 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide

3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide (PubChem CID 66089913) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
PubChem CID66089913
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
SMILESCC(CCO)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-10(5-6-16)8-15-9-11-3-2-4-12(7-11)13(14)17/h2-4,7,10,15-16H,5-6,8-9H2,1H3,(H2,14,17)
InChIKeyDDTZHNYCCHBFFA-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
3-[(2-cyanopropylamino)methyl]benzamide
CID 63277351
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide (CID 66089913) is 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide is CC(CCO)CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide?
The InChIKey is DDTZHNYCCHBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(5-6-16)8-15-9-11-3-2-4-12(7-11)13(14)17/h2-4,7,10,15-16H,5-6,8-9H2,1H3,(H2,14,17).
What are the key properties of 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide?
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide has a molecular weight of 236.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide is sourced from PubChem (CID 66089913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).