N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide

C12H17NO2 — CID 4550594

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15)
InChIKeyFSJWWZFVMVPLOV-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.50
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide (PubChem CID 4550594) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide
PubChem CID4550594
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15)
InChIKeyFSJWWZFVMVPLOV-UHFFFAOYSA-N
XLogP1.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide (CID 4550594) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide?
The InChIKey is FSJWWZFVMVPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-4-5-7-10(9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 4550594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).