N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide

C12H13N3O4 — CID 103028928

IUPACN-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C12H13N3O4/c1-12(2,19-3)11(16)14-10-5-4-9(15(17)18)6-8(10)7-13/h4-6H,1-3H3,(H,14,16)
InChIKeyZOPZAZURBXRANV-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.83
Rot. Bonds4

About N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide

N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103028928) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103028928
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C12H13N3O4/c1-12(2,19-3)11(16)14-10-5-4-9(15(17)18)6-8(10)7-13/h4-6H,1-3H3,(H,14,16)
InChIKeyZOPZAZURBXRANV-UHFFFAOYSA-N
XLogP1.83
TPSA105.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 23826376
3-amino-N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 115426279
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
N-(2-cyano-4-nitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577518
2-(tert-butylamino)-N-(2-cyano-4-nitrophenyl)acetamide
CID 78907414
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752319
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326
[2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776210
tert-butyl N-[2-(2-cyano-4-nitroanilino)ethyl]carbamate
CID 103628271
(2S)-2-amino-N-(2-cyano-4-nitrophenyl)-3-methylpentanamide
CID 61174424
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
2-(3,3-dimethylbutylamino)-5-nitrobenzonitrile
CID 47184868

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide (CID 103028928) is N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N.
What is the InChIKey of N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is ZOPZAZURBXRANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-12(2,19-3)11(16)14-10-5-4-9(15(17)18)6-8(10)7-13/h4-6H,1-3H3,(H,14,16).
What are the key properties of N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide?
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 263.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).