2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide

C11H14N2O4 — CID 606095

IUPAC2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
SMILESCOc1cccc([N+](=O)[O-])c1C(C)(C)C(N)=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(12)14)9-7(13(15)16)5-4-6-8(9)17-3/h4-6H,1-3H3,(H2,12,14)
InChIKeyFPBZGOPFSXMGKI-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.37
Rot. Bonds4

About 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide

2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide (PubChem CID 606095) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
PubChem CID606095
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
SMILESCOc1cccc([N+](=O)[O-])c1C(C)(C)C(N)=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(12)14)9-7(13(15)16)5-4-6-8(9)17-3/h4-6H,1-3H3,(H2,12,14)
InChIKeyFPBZGOPFSXMGKI-UHFFFAOYSA-N
XLogP1.37
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide?
The IUPAC name of 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide (CID 606095) is 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide is COc1cccc([N+](=O)[O-])c1C(C)(C)C(N)=O.
What is the InChIKey of 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide?
The InChIKey is FPBZGOPFSXMGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,10(12)14)9-7(13(15)16)5-4-6-8(9)17-3/h4-6H,1-3H3,(H2,12,14).
What are the key properties of 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide?
2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide has a molecular weight of 238.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 606095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).