3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide

C12H17N3O4 — CID 104765683

IUPAC3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-12(2,19-3)7-14-11(16)8-5-4-6-9(13)10(8)15(17)18/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyCNNGBLZFXNVWLM-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.33
Rot. Bonds5

About 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide

3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide (PubChem CID 104765683) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
PubChem CID104765683
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
SMILESCOC(C)(C)CNC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O4/c1-12(2,19-3)7-14-11(16)8-5-4-6-9(13)10(8)15(17)18/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyCNNGBLZFXNVWLM-UHFFFAOYSA-N
XLogP1.33
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.33
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

2-chloro-N-(2-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 104759986
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691
3-amino-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 113333559
3-amino-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 115548201
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159
3-amino-N-(2,2-difluoroethyl)-2-nitrobenzamide
CID 113333576
3-chloro-N-(2-ethoxy-2-methylpropyl)-2-nitrobenzamide
CID 114941662
3-amino-N-(3-ethoxypropyl)-2-nitrobenzamide
CID 115548367
5-amino-4-fluoro-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765639
3-amino-N-(3,3-dimethylbutan-2-yl)-2-nitrobenzamide
CID 104829926
3-amino-N-(2,2-dicyclopropylethyl)-2-nitrobenzamide
CID 115549225
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide (CID 104765683) is 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide is COC(C)(C)CNC(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide?
The InChIKey is CNNGBLZFXNVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,19-3)7-14-11(16)8-5-4-6-9(13)10(8)15(17)18/h4-6H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide?
3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide has a molecular weight of 267.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide is sourced from PubChem (CID 104765683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).