N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide

C12H17N5O4 — CID 106098487

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O4/c1-12(2,6-9(13)18)15-11(19)7-4-3-5-8(16-14)10(7)17(20)21/h3-5,16H,6,14H2,1-2H3,(H2,13,18)(H,15,19)
InChIKeyNFTISYKSVHYFBI-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.26
Rot. Bonds6

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide (PubChem CID 106098487) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
PubChem CID106098487
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O4/c1-12(2,6-9(13)18)15-11(19)7-4-3-5-8(16-14)10(7)17(20)21/h3-5,16H,6,14H2,1-2H3,(H2,13,18)(H,15,19)
InChIKeyNFTISYKSVHYFBI-UHFFFAOYSA-N
XLogP0.26
TPSA153.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-methyl-3-[(3-methyl-2-nitrobenzoyl)amino]butanoic acid
CID 64671491
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
CID 106097445
N-(1-amino-2-methylpropan-2-yl)-3-methyl-2-nitrobenzamide
CID 63193492
3-amino-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 115548201
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide (CID 106098487) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide is CC(C)(CC(N)=O)NC(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is NFTISYKSVHYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c1-12(2,6-9(13)18)15-11(19)7-4-3-5-8(16-14)10(7)17(20)21/h3-5,16H,6,14H2,1-2H3,(H2,13,18)(H,15,19).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 295.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 106098487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).