3-(3,3-dimethylbutylamino)-2-methylbenzamide

C14H22N2O — CID 62952099

IUPAC3-(3,3-dimethylbutylamino)-2-methylbenzamide
SMILESCc1c(NCCC(C)(C)C)cccc1C(N)=O
InChIInChI=1S/C14H22N2O/c1-10-11(13(15)17)6-5-7-12(10)16-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyPCVKFECGBFLJGY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds4

About 3-(3,3-dimethylbutylamino)-2-methylbenzamide

3-(3,3-dimethylbutylamino)-2-methylbenzamide (PubChem CID 62952099) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylamino)-2-methylbenzamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutylamino)-2-methylbenzamide
PubChem CID62952099
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3,3-dimethylbutylamino)-2-methylbenzamide
SMILESCc1c(NCCC(C)(C)C)cccc1C(N)=O
InChIInChI=1S/C14H22N2O/c1-10-11(13(15)17)6-5-7-12(10)16-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyPCVKFECGBFLJGY-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,3-dimethylbutylamino)-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 3-(3,3-dimethylbutylamino)-2-methylbenzamide?
The IUPAC name of 3-(3,3-dimethylbutylamino)-2-methylbenzamide (CID 62952099) is 3-(3,3-dimethylbutylamino)-2-methylbenzamide.
What is the SMILES notation for 3-(3,3-dimethylbutylamino)-2-methylbenzamide?
The canonical SMILES for 3-(3,3-dimethylbutylamino)-2-methylbenzamide is Cc1c(NCCC(C)(C)C)cccc1C(N)=O.
What is the InChIKey of 3-(3,3-dimethylbutylamino)-2-methylbenzamide?
The InChIKey is PCVKFECGBFLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-11(13(15)17)6-5-7-12(10)16-9-8-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17).
What are the key properties of 3-(3,3-dimethylbutylamino)-2-methylbenzamide?
3-(3,3-dimethylbutylamino)-2-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylamino)-2-methylbenzamide is sourced from PubChem (CID 62952099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).