3-methyl-2-(2-nitroanilino)butanamide

C11H15N3O3 — CID 75429977

IUPAC3-methyl-2-(2-nitroanilino)butanamide
SMILESCC(C)C(Nc1ccccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H15N3O3/c1-7(2)10(11(12)15)13-8-5-3-4-6-9(8)14(16)17/h3-7,10,13H,1-2H3,(H2,12,15)
InChIKeyRRRQBKWTZIMLBD-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.52
Rot. Bonds5

About 3-methyl-2-(2-nitroanilino)butanamide

3-methyl-2-(2-nitroanilino)butanamide (PubChem CID 75429977) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-2-(2-nitroanilino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-nitroanilino)butanamide
PubChem CID75429977
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-2-(2-nitroanilino)butanamide
SMILESCC(C)C(Nc1ccccc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H15N3O3/c1-7(2)10(11(12)15)13-8-5-3-4-6-9(8)14(16)17/h3-7,10,13H,1-2H3,(H2,12,15)
InChIKeyRRRQBKWTZIMLBD-UHFFFAOYSA-N
XLogP1.52
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-3-methyl-2-(2-nitroanilino)butanoate
CID 102338756
2-(2,4-dinitroanilino)-3-methylbutanamide
CID 103801571
(2R)-3-methyl-2-(5-methyl-2-nitroanilino)butanamide
CID 97327394
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-nitrobenzamide
CID 106345938
2-(5-fluoro-2-nitroanilino)-3-methylbutanamide
CID 106346093
methyl (2S,3R)-3-hydroxy-2-(2-nitroanilino)butanoate
CID 46848691
3-methyl-2-(2-methylanilino)butanamide
CID 60679565
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
3-methyl-2-[(5-nitroquinolin-8-yl)amino]butanamide
CID 106346065
(2S)-2-(carbamoylamino)-3-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 9278465
carbamic acid;N-methyl-2-nitroaniline
CID 175546963
3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
CID 106347453

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-nitroanilino)butanamide?
The IUPAC name of 3-methyl-2-(2-nitroanilino)butanamide (CID 75429977) is 3-methyl-2-(2-nitroanilino)butanamide.
What is the SMILES notation for 3-methyl-2-(2-nitroanilino)butanamide?
The canonical SMILES for 3-methyl-2-(2-nitroanilino)butanamide is CC(C)C(Nc1ccccc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 3-methyl-2-(2-nitroanilino)butanamide?
The InChIKey is RRRQBKWTZIMLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(2)10(11(12)15)13-8-5-3-4-6-9(8)14(16)17/h3-7,10,13H,1-2H3,(H2,12,15).
What are the key properties of 3-methyl-2-(2-nitroanilino)butanamide?
3-methyl-2-(2-nitroanilino)butanamide has a molecular weight of 237.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-nitroanilino)butanamide is sourced from PubChem (CID 75429977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).