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

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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).