4-(2-amino-2-methylbutoxy)-2-methylbenzamide

C13H20N2O2 — CID 81276903

IUPAC4-(2-amino-2-methylbutoxy)-2-methylbenzamide
SMILESCCC(C)(N)COc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(3,15)8-17-10-5-6-11(12(14)16)9(2)7-10/h5-7H,4,8,15H2,1-3H3,(H2,14,16)
InChIKeyVGDQFPCBFYHBRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.60
Rot. Bonds5

About 4-(2-amino-2-methylbutoxy)-2-methylbenzamide

4-(2-amino-2-methylbutoxy)-2-methylbenzamide (PubChem CID 81276903) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-amino-2-methylbutoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-methylbutoxy)-2-methylbenzamide
PubChem CID81276903
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-amino-2-methylbutoxy)-2-methylbenzamide
SMILESCCC(C)(N)COc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(3,15)8-17-10-5-6-11(12(14)16)9(2)7-10/h5-7H,4,8,15H2,1-3H3,(H2,14,16)
InChIKeyVGDQFPCBFYHBRC-UHFFFAOYSA-N
XLogP1.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-amino-2-methylbutoxy)-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

Related Compounds

4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
2,4-diethoxybenzamide
CID 17145726
ethyl 2-(4-ethoxy-2-methylphenyl)-2-oxoacetate
CID 82553694
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
3-(4-amino-3-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79622341
2-methyl-4-[1-(methylamino)propan-2-yloxy]benzamide
CID 81275945
4-hexoxy-2-methylbenzenecarbothioamide
CID 81277711
2-methyl-4-propoxybenzoyl chloride
CID 82631959
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
4-(hydroxymethyl)-2-methylbenzamide
CID 69484226

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylbutoxy)-2-methylbenzamide?
The IUPAC name of 4-(2-amino-2-methylbutoxy)-2-methylbenzamide (CID 81276903) is 4-(2-amino-2-methylbutoxy)-2-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-methylbutoxy)-2-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-methylbutoxy)-2-methylbenzamide is CCC(C)(N)COc1ccc(C(N)=O)c(C)c1.
What is the InChIKey of 4-(2-amino-2-methylbutoxy)-2-methylbenzamide?
The InChIKey is VGDQFPCBFYHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(3,15)8-17-10-5-6-11(12(14)16)9(2)7-10/h5-7H,4,8,15H2,1-3H3,(H2,14,16).
What are the key properties of 4-(2-amino-2-methylbutoxy)-2-methylbenzamide?
4-(2-amino-2-methylbutoxy)-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylbutoxy)-2-methylbenzamide is sourced from PubChem (CID 81276903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).