2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide

C14H22N2O — CID 114174059

IUPAC2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(C)c1N
InChIInChI=1S/C14H22N2O/c1-5-14(4,6-2)16-13(17)11-9-7-8-10(3)12(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyZNAGSCAEOXYDNQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide

2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide (PubChem CID 114174059) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
PubChem CID114174059
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1cccc(C)c1N
InChIInChI=1S/C14H22N2O/c1-5-14(4,6-2)16-13(17)11-9-7-8-10(3)12(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17)
InChIKeyZNAGSCAEOXYDNQ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide 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

2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
CID 114007995
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640
2-amino-3-methyl-N-pentan-3-ylbenzamide
CID 16772224
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199869
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzamide
CID 106139307
4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
CID 103863806

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide (CID 114174059) is 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is ZNAGSCAEOXYDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(4,6-2)16-13(17)11-9-7-8-10(3)12(11)15/h7-9H,5-6,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide?
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 234.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 114174059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).