4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide

C13H20N2O2 — CID 81412295

IUPAC4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
SMILESCCC(C)(CO)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-13(2,9-16)8-15-11-6-4-10(5-7-11)12(14)17/h4-7,15-16H,3,8-9H2,1-2H3,(H2,14,17)
InChIKeyYMTHQGICTKBHJP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide

4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide (PubChem CID 81412295) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
PubChem CID81412295
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
SMILESCCC(C)(CO)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-13(2,9-16)8-15-11-6-4-10(5-7-11)12(14)17/h4-7,15-16H,3,8-9H2,1-2H3,(H2,14,17)
InChIKeyYMTHQGICTKBHJP-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81413351
2-methyl-2-[(4-propan-2-ylanilino)methyl]butan-1-ol
CID 81411085
2-[[4-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81413541
2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
CID 81411606
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
[4-[1-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]phenyl]urea
CID 81418585
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
2-[(4-cyclopentylsulfanylanilino)methyl]-2-methylbutan-1-ol
CID 81412765
4-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoic acid
CID 106277914
4-(but-2-ynylamino)benzamide
CID 62311340

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The IUPAC name of 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide (CID 81412295) is 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide is CCC(C)(CO)CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
The InChIKey is YMTHQGICTKBHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-13(2,9-16)8-15-11-6-4-10(5-7-11)12(14)17/h4-7,15-16H,3,8-9H2,1-2H3,(H2,14,17).
What are the key properties of 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide?
4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide is sourced from PubChem (CID 81412295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).