N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide

C12H17N3O4 — CID 70090337

IUPACN-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide
SMILESCOc1c([N+](=O)[O-])ccc(N)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H17N3O4/c1-12(2,3)11(16)14-9-7(13)5-6-8(15(17)18)10(9)19-4/h5-6H,13H2,1-4H3,(H,14,16)
InChIKeyXFUFGELMDKAVHS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.17
Rot. Bonds3

About N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide

N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide (PubChem CID 70090337) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide
PubChem CID70090337
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC NameN-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide
SMILESCOc1c([N+](=O)[O-])ccc(N)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H17N3O4/c1-12(2,3)11(16)14-9-7(13)5-6-8(15(17)18)10(9)19-4/h5-6H,13H2,1-4H3,(H,14,16)
InChIKeyXFUFGELMDKAVHS-UHFFFAOYSA-N
XLogP2.17
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-nitrophenyl)acetamide
CID 67947056
6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
CID 59675238
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
1-(3-amino-2-methoxy-4-nitrophenyl)ethanone
CID 171023183
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
3-amino-2-methoxy-4-nitrobenzenesulfonic acid
CID 170850512
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
2,2-dimethyl-N-[(4-nitrophenyl)carbamothioyl]propanamide
CID 2983548
3-hydroxy-2-methoxy-4-nitrobenzoic acid
CID 58316178
methyl 2-(3-amino-2-methyl-6-nitrophenyl)acetate
CID 171030723
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
CID 157357531

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide (CID 70090337) is N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide is COc1c([N+](=O)[O-])ccc(N)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide?
The InChIKey is XFUFGELMDKAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)11(16)14-9-7(13)5-6-8(15(17)18)10(9)19-4/h5-6H,13H2,1-4H3,(H,14,16).
What are the key properties of N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide?
N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide has a molecular weight of 267.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 70090337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).