3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide

C14H22N2O — CID 43570555

IUPAC3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6,15H2,1-4H3
InChIKeyDBGJTWFLYUDVQL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.84
Rot. Bonds4

About 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide

3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 43570555) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
PubChem CID43570555
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6,15H2,1-4H3
InChIKeyDBGJTWFLYUDVQL-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide 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

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
3-amino-N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112701900
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
2-amino-N,6-dimethyl-N-pentan-3-ylbenzamide
CID 43570574
1-N,4-dimethyl-1-N-pentan-3-ylbenzene-1,3-diamine
CID 62910591
4-amino-3,5-dichloro-N-methyl-N-pentan-3-ylbenzamide
CID 82832777

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide (CID 43570555) is 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is DBGJTWFLYUDVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-12(6-2)16(4)14(17)11-8-7-10(3)13(15)9-11/h7-9,12H,5-6,15H2,1-4H3.
What are the key properties of 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide?
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 43570555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).