4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide

C14H20N2O5 — CID 1290799

IUPAC4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide
SMILESCCC(C)(C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-6-14(2,3)15-13(17)9-7-11(20-4)12(21-5)8-10(9)16(18)19/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyWEBVHOCIRWAJPY-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.53
Rot. Bonds6

About 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide

4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide (PubChem CID 1290799) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide
PubChem CID1290799
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide
SMILESCCC(C)(C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-6-14(2,3)15-13(17)9-7-11(20-4)12(21-5)8-10(9)16(18)19/h7-8H,6H2,1-5H3,(H,15,17)
InChIKeyWEBVHOCIRWAJPY-UHFFFAOYSA-N
XLogP2.53
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
The IUPAC name of 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide (CID 1290799) is 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
The canonical SMILES for 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide is CCC(C)(C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
The InChIKey is WEBVHOCIRWAJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-6-14(2,3)15-13(17)9-7-11(20-4)12(21-5)8-10(9)16(18)19/h7-8H,6H2,1-5H3,(H,15,17).
What are the key properties of 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide?
4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide has a molecular weight of 296.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-(2-methylbutan-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 1290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).