2-[(2-amino-2-ethylbutyl)amino]benzamide

C13H21N3O — CID 113283240

IUPAC2-[(2-amino-2-ethylbutyl)amino]benzamide
SMILESCCC(N)(CC)CNc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-13(15,4-2)9-16-11-8-6-5-7-10(11)12(14)17/h5-8,16H,3-4,9,15H2,1-2H3,(H2,14,17)
InChIKeyBXNUUGUMELUDRB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds6

About 2-[(2-amino-2-ethylbutyl)amino]benzamide

2-[(2-amino-2-ethylbutyl)amino]benzamide (PubChem CID 113283240) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-amino-2-ethylbutyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-2-ethylbutyl)amino]benzamide
PubChem CID113283240
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(2-amino-2-ethylbutyl)amino]benzamide
SMILESCCC(N)(CC)CNc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-3-13(15,4-2)9-16-11-8-6-5-7-10(11)12(14)17/h5-8,16H,3-4,9,15H2,1-2H3,(H2,14,17)
InChIKeyBXNUUGUMELUDRB-UHFFFAOYSA-N
XLogP1.71
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(cyanomethylamino)benzamide
CID 3086271
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-[3-(aminomethyl)pentan-3-ylamino]benzamide
CID 63886829
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-[(2-amino-2-methylpropyl)amino]-5-fluorobenzamide
CID 115303646
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
2-(chloroamino)benzamide
CID 54562633
3-(2-carbamoylanilino)propanoate
CID 40564413

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]benzamide?
The IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]benzamide (CID 113283240) is 2-[(2-amino-2-ethylbutyl)amino]benzamide.
What is the SMILES notation for 2-[(2-amino-2-ethylbutyl)amino]benzamide?
The canonical SMILES for 2-[(2-amino-2-ethylbutyl)amino]benzamide is CCC(N)(CC)CNc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-2-ethylbutyl)amino]benzamide?
The InChIKey is BXNUUGUMELUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-13(15,4-2)9-16-11-8-6-5-7-10(11)12(14)17/h5-8,16H,3-4,9,15H2,1-2H3,(H2,14,17).
What are the key properties of 2-[(2-amino-2-ethylbutyl)amino]benzamide?
2-[(2-amino-2-ethylbutyl)amino]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethylbutyl)amino]benzamide is sourced from PubChem (CID 113283240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).