4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide

C14H22N2O2 — CID 111469022

IUPAC4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)(C)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,8-9-17)16-10-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18)
InChIKeyBUULBJIPQJESOX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.30
Rot. Bonds6

About 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide

4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide (PubChem CID 111469022) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
PubChem CID111469022
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(C)(C)CCO)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,8-9-17)16-10-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18)
InChIKeyBUULBJIPQJESOX-UHFFFAOYSA-N
XLogP1.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115968785
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide (CID 111469022) is 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(C)(C)CCO)cc1.
What is the InChIKey of 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is BUULBJIPQJESOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,8-9-17)16-10-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18).
What are the key properties of 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide?
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111469022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).