4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide

C14H20N4O3 — CID 106096432

IUPAC4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CC(N)=O)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N4O3/c1-14(2,7-11(16)19)18-12(20)8-17-13(21)9-3-5-10(15)6-4-9/h3-6H,7-8,15H2,1-2H3,(H2,16,19)(H,17,21)(H,18,20)
InChIKeyVOZLHWBTOYBOMO-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.23
Rot. Bonds6

About 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide

4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 106096432) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID106096432
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(CC(N)=O)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N4O3/c1-14(2,7-11(16)19)18-12(20)8-17-13(21)9-3-5-10(15)6-4-9/h3-6H,7-8,15H2,1-2H3,(H2,16,19)(H,17,21)(H,18,20)
InChIKeyVOZLHWBTOYBOMO-UHFFFAOYSA-N
XLogP-0.23
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.23
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

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CID 24710255
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CID 106176497
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
N-[2-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 115869842
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
CID 79193732
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide (CID 106096432) is 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide is CC(C)(CC(N)=O)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is VOZLHWBTOYBOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,7-11(16)19)18-12(20)8-17-13(21)9-3-5-10(15)6-4-9/h3-6H,7-8,15H2,1-2H3,(H2,16,19)(H,17,21)(H,18,20).
What are the key properties of 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 106096432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).