3-amino-N-(2,2-dimethylbutyl)benzamide

C13H20N2O — CID 103459945

IUPAC3-amino-N-(2,2-dimethylbutyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)9-15-12(16)10-6-5-7-11(14)8-10/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyZTGNLOLZQQCOCP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.43
Rot. Bonds4

About 3-amino-N-(2,2-dimethylbutyl)benzamide

3-amino-N-(2,2-dimethylbutyl)benzamide (PubChem CID 103459945) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylbutyl)benzamide
PubChem CID103459945
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-N-(2,2-dimethylbutyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)9-15-12(16)10-6-5-7-11(14)8-10/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyZTGNLOLZQQCOCP-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
CID 119794357
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylbutyl)benzamide?
The IUPAC name of 3-amino-N-(2,2-dimethylbutyl)benzamide (CID 103459945) is 3-amino-N-(2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylbutyl)benzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylbutyl)benzamide is CCC(C)(C)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2,2-dimethylbutyl)benzamide?
The InChIKey is ZTGNLOLZQQCOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-13(2,3)9-15-12(16)10-6-5-7-11(14)8-10/h5-8H,4,9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(2,2-dimethylbutyl)benzamide?
3-amino-N-(2,2-dimethylbutyl)benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 103459945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).