2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide

C13H20N4O2 — CID 115357122

IUPAC2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)CNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)7-16-8-4-5-10(14)9(6-8)12(15)19/h4-6,16H,7,14H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyGZWFLQMUYMYUCN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide

2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide (PubChem CID 115357122) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
PubChem CID115357122
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)CNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)7-16-8-4-5-10(14)9(6-8)12(15)19/h4-6,16H,7,14H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyGZWFLQMUYMYUCN-UHFFFAOYSA-N
XLogP0.69
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-3-(cyanomethyl)anilino]-N-tert-butylacetamide
CID 102624567
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
2-amino-5-[(1-amino-2-methyl-1-oxobutan-2-yl)amino]benzamide
CID 112738398
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-(4-acetamidoanilino)-N-tert-butylacetamide
CID 28567256
2-amino-5-[1-(dimethylamino)propan-2-ylamino]benzamide
CID 82950580
2-[(5-amino-6-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 115356046
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide (CID 115357122) is 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)CNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is GZWFLQMUYMYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)7-16-8-4-5-10(14)9(6-8)12(15)19/h4-6,16H,7,14H2,1-3H3,(H2,15,19)(H,17,18).
What are the key properties of 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide?
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 264.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 115357122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).