2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide

C13H21N3O — CID 114208165

IUPAC2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide
SMILESCC(C)(C)C(CN)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-13(2,3)11(8-14)16-10-7-5-4-6-9(10)12(15)17/h4-7,11,16H,8,14H2,1-3H3,(H2,15,17)
InChIKeyBHXOBCCJYKMUDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide

2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide (PubChem CID 114208165) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide
PubChem CID114208165
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide
SMILESCC(C)(C)C(CN)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-13(2,3)11(8-14)16-10-7-5-4-6-9(10)12(15)17/h4-7,11,16H,8,14H2,1-3H3,(H2,15,17)
InChIKeyBHXOBCCJYKMUDU-UHFFFAOYSA-N
XLogP1.57
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
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2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-[3-(aminomethyl)pentan-3-ylamino]benzamide
CID 63886829
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-(chloroamino)benzamide
CID 54562633
2-(octan-3-ylamino)benzamide
CID 151964869
2-(2-propan-2-yloxyethylamino)benzamide
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CID 1214109

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide?
The IUPAC name of 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide (CID 114208165) is 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide.
What is the SMILES notation for 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide?
The canonical SMILES for 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide is CC(C)(C)C(CN)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide?
The InChIKey is BHXOBCCJYKMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)11(8-14)16-10-7-5-4-6-9(10)12(15)17/h4-7,11,16H,8,14H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide?
2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3,3-dimethylbutan-2-yl)amino]benzamide is sourced from PubChem (CID 114208165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).