2-amino-3-methyl-N-pentan-3-ylbenzamide

C13H20N2O — CID 16772224

IUPAC2-amino-3-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(C)c1N
InChIInChI=1S/C13H20N2O/c1-4-10(5-2)15-13(16)11-8-6-7-9(3)12(11)14/h6-8,10H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyVNCUGMLQLBBGFW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-3-methyl-N-pentan-3-ylbenzamide

2-amino-3-methyl-N-pentan-3-ylbenzamide (PubChem CID 16772224) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-pentan-3-ylbenzamide
PubChem CID16772224
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-3-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cccc(C)c1N
InChIInChI=1S/C13H20N2O/c1-4-10(5-2)15-13(16)11-8-6-7-9(3)12(11)14/h6-8,10H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyVNCUGMLQLBBGFW-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.50
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-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

2-amino-N-(1,3-dihydroxypropan-2-yl)-3-methylbenzamide
CID 65310154
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
N-(1-chlorobutan-2-yl)-2-methylbenzamide
CID 114294187
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
3-[(2-bromo-3-methylbenzoyl)amino]pentanoic acid
CID 107981531
[(2R)-2-[(2-methylbenzoyl)amino]butyl] 2-methylbenzoate
CID 99923145
2-amino-N-(2-ethylhexyl)-3-methylbenzamide
CID 103604526
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-bromo-3-methylbenzamide
CID 107982269
N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
CID 113241222
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbenzamide
CID 114007995

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 2-amino-3-methyl-N-pentan-3-ylbenzamide (CID 16772224) is 2-amino-3-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2-amino-3-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 2-amino-3-methyl-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-pentan-3-ylbenzamide?
The InChIKey is VNCUGMLQLBBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-10(5-2)15-13(16)11-8-6-7-9(3)12(11)14/h6-8,10H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-pentan-3-ylbenzamide?
2-amino-3-methyl-N-pentan-3-ylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.50, 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-pentan-3-ylbenzamide is sourced from PubChem (CID 16772224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).