6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide

C14H20N2O4 — CID 59675238

IUPAC6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
SMILESCOc1c([N+](=O)[O-])ccc(C(C)(C)C)c1C(=O)N(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)9-7-8-10(16(18)19)12(20-6)11(9)13(17)15(4)5/h7-8H,1-6H3
InChIKeyFXADIHUDTBQGMI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.60
Rot. Bonds3

About 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide

6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide (PubChem CID 59675238) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
PubChem CID59675238
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide
SMILESCOc1c([N+](=O)[O-])ccc(C(C)(C)C)c1C(=O)N(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)9-7-8-10(16(18)19)12(20-6)11(9)13(17)15(4)5/h7-8H,1-6H3
InChIKeyFXADIHUDTBQGMI-UHFFFAOYSA-N
XLogP2.60
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
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

2-methoxy-N,N-dimethyl-3-nitro-6-propan-2-ylbenzamide
CID 59675329
1-(2,3-dimethoxy-4-nitrophenyl)ethanone
CID 142498394
N-(6-amino-2-methoxy-3-nitrophenyl)-2,2-dimethylpropanamide
CID 70090337
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
3-tert-butyl-4-nitrobenzoic acid
CID 131376694
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-tert-butyl-3-nitrobenzoate
CID 16797060
2-methoxy-3-nitro-6-(trifluoromethyl)benzenesulfonyl chloride
CID 172969219
potassium 2-methoxy-3-nitrophenol
CID 67083613
2-(6-hydroxy-2-methoxy-3-nitrophenyl)acetic acid
CID 11770181
3-tert-butyl-2-methoxy-6-methyl-5-nitroaniline
CID 100936248
4-methoxy-N,N-dimethyl-5-nitrothiophene-3-carboxamide
CID 58736638
5-tert-butyl-2-methoxy-3-nitrophenol
CID 118168089

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide (CID 59675238) is 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide is COc1c([N+](=O)[O-])ccc(C(C)(C)C)c1C(=O)N(C)C.
What is the InChIKey of 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is FXADIHUDTBQGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)9-7-8-10(16(18)19)12(20-6)11(9)13(17)15(4)5/h7-8H,1-6H3.
What are the key properties of 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide?
6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 280.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methoxy-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 59675238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).