2-ethyl-N-(4-nitrophenyl)butanamide

C12H16N2O3 — CID 2931276

IUPAC2-ethyl-N-(4-nitrophenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-9(4-2)12(15)13-10-5-7-11(8-6-10)14(16)17/h5-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZEXZCTUOCVFVRX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.97
Rot. Bonds5

About 2-ethyl-N-(4-nitrophenyl)butanamide

2-ethyl-N-(4-nitrophenyl)butanamide (PubChem CID 2931276) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethyl-N-(4-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-nitrophenyl)butanamide
PubChem CID2931276
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-ethyl-N-(4-nitrophenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-9(4-2)12(15)13-10-5-7-11(8-6-10)14(16)17/h5-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZEXZCTUOCVFVRX-UHFFFAOYSA-N
XLogP2.97
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[(2S)-butan-2-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 94031767
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
[(2S)-4-methylsulfanyl-1-(4-nitroanilino)-1-oxobutan-2-yl]azanium
CID 7408196
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 4166054
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396
[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]azanium
CID 7408125

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-nitrophenyl)butanamide?
The IUPAC name of 2-ethyl-N-(4-nitrophenyl)butanamide (CID 2931276) is 2-ethyl-N-(4-nitrophenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-nitrophenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(4-nitrophenyl)butanamide is CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-ethyl-N-(4-nitrophenyl)butanamide?
The InChIKey is ZEXZCTUOCVFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-9(4-2)12(15)13-10-5-7-11(8-6-10)14(16)17/h5-9H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 2-ethyl-N-(4-nitrophenyl)butanamide?
2-ethyl-N-(4-nitrophenyl)butanamide has a molecular weight of 236.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-nitrophenyl)butanamide is sourced from PubChem (CID 2931276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).