4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide

C13H19N3O2 — CID 24710255

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)16-11(17)8-15-12(18)9-4-6-10(14)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHIMJUSPARARGMF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide (PubChem CID 24710255) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
PubChem CID24710255
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)16-11(17)8-15-12(18)9-4-6-10(14)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHIMJUSPARARGMF-UHFFFAOYSA-N
XLogP0.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
CID 106096432
4-amino-N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 106176497
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
N-[2-(tert-butylamino)-2-oxoethyl]-4-(tert-butylsulfamoyl)benzamide
CID 18118530
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
4-(4-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267745
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
CID 79193732
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide (CID 24710255) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
The InChIKey is HIMJUSPARARGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)16-11(17)8-15-12(18)9-4-6-10(14)7-5-9/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24710255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).