2,2-dimethyl-3-(3-nitrophenoxy)propanamide

C11H14N2O4 — CID 82041475

IUPAC2,2-dimethyl-3-(3-nitrophenoxy)propanamide
SMILESCC(C)(COc1cccc([N+](=O)[O-])c1)C(N)=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(12)14)7-17-9-5-3-4-8(6-9)13(15)16/h3-6H,7H2,1-2H3,(H2,12,14)
InChIKeyQYWQERURTIRGAB-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.49
Rot. Bonds5

About 2,2-dimethyl-3-(3-nitrophenoxy)propanamide

2,2-dimethyl-3-(3-nitrophenoxy)propanamide (PubChem CID 82041475) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-nitrophenoxy)propanamide
PubChem CID82041475
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2,2-dimethyl-3-(3-nitrophenoxy)propanamide
SMILESCC(C)(COc1cccc([N+](=O)[O-])c1)C(N)=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(12)14)7-17-9-5-3-4-8(6-9)13(15)16/h3-6H,7H2,1-2H3,(H2,12,14)
InChIKeyQYWQERURTIRGAB-UHFFFAOYSA-N
XLogP1.49
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.49
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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Related Compounds

1-(3-nitrophenoxy)-2-phenylpropan-2-ol
CID 62373825
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
2,2-dimethyl-3-(3-nitrophenoxy)propane-1-sulfonamide
CID 64999478
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
2,2-dimethyl-6-(3-nitrophenoxy)hexanimidamide
CID 106712403
4-(3-nitrophenoxy)butan-2-one
CID 60693072
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
2-methyl-3-(3-nitrophenoxy)propan-1-ol
CID 115870764
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
CID 21077618
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-nitrophenoxy)propanamide?
The IUPAC name of 2,2-dimethyl-3-(3-nitrophenoxy)propanamide (CID 82041475) is 2,2-dimethyl-3-(3-nitrophenoxy)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(3-nitrophenoxy)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(3-nitrophenoxy)propanamide is CC(C)(COc1cccc([N+](=O)[O-])c1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(3-nitrophenoxy)propanamide?
The InChIKey is QYWQERURTIRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,10(12)14)7-17-9-5-3-4-8(6-9)13(15)16/h3-6H,7H2,1-2H3,(H2,12,14).
What are the key properties of 2,2-dimethyl-3-(3-nitrophenoxy)propanamide?
2,2-dimethyl-3-(3-nitrophenoxy)propanamide has a molecular weight of 238.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 82041475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).