2,2-diethyl-4-(4-nitrophenyl)butanamide

C14H20N2O3 — CID 174414905

IUPAC2,2-diethyl-4-(4-nitrophenyl)butanamide
SMILESCCC(CC)(CCc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-3-14(4-2,13(15)17)10-9-11-5-7-12(8-6-11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17)
InChIKeyPYEXHXWFOBVIDK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.82
Rot. Bonds7

About 2,2-diethyl-4-(4-nitrophenyl)butanamide

2,2-diethyl-4-(4-nitrophenyl)butanamide (PubChem CID 174414905) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,2-diethyl-4-(4-nitrophenyl)butanamide.

Molecular Properties

Compound Name2,2-diethyl-4-(4-nitrophenyl)butanamide
PubChem CID174414905
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,2-diethyl-4-(4-nitrophenyl)butanamide
SMILESCCC(CC)(CCc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C14H20N2O3/c1-3-14(4-2,13(15)17)10-9-11-5-7-12(8-6-11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17)
InChIKeyPYEXHXWFOBVIDK-UHFFFAOYSA-N
XLogP2.82
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.82
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

diethyl 2-[2-(4-nitrophenyl)ethyl]-2-propylpropanedioate
CID 10498116
ethane;1-nitro-4-propylbenzene
CID 123575523
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
3-(4-nitrophenyl)propanoate
CID 6923582
potassium 2-(4-nitrophenyl)acetate
CID 15261201
2-amino-2-methyl-N-[2-(4-nitrophenyl)ethyl]pentanamide;hydrochloride
CID 119745886
bis[2-(4-nitrophenyl)ethyl] hexanedioate
CID 132820351
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-(2-ethylsulfonylethyl)-4-nitrobenzene
CID 147385511
azane;1-ethyl-4-nitrobenzene
CID 19043225
5-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxylic acid
CID 59058024

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(4-nitrophenyl)butanamide?
The IUPAC name of 2,2-diethyl-4-(4-nitrophenyl)butanamide (CID 174414905) is 2,2-diethyl-4-(4-nitrophenyl)butanamide.
What is the SMILES notation for 2,2-diethyl-4-(4-nitrophenyl)butanamide?
The canonical SMILES for 2,2-diethyl-4-(4-nitrophenyl)butanamide is CCC(CC)(CCc1ccc([N+](=O)[O-])cc1)C(N)=O.
What is the InChIKey of 2,2-diethyl-4-(4-nitrophenyl)butanamide?
The InChIKey is PYEXHXWFOBVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-14(4-2,13(15)17)10-9-11-5-7-12(8-6-11)16(18)19/h5-8H,3-4,9-10H2,1-2H3,(H2,15,17).
What are the key properties of 2,2-diethyl-4-(4-nitrophenyl)butanamide?
2,2-diethyl-4-(4-nitrophenyl)butanamide has a molecular weight of 264.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(4-nitrophenyl)butanamide is sourced from PubChem (CID 174414905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).