2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide

C19H21N3O6 — CID 2800371

IUPAC2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H21N3O6/c1-10-8-11(2)16(12(3)9-10)20-19(24)21-18(23)15-14(27-4)7-6-13(22(25)26)17(15)28-5/h6-9H,1-5H3,(H2,20,21,23,24)
InChIKeyCDAWEBAYONAYLL-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.50
Rot. Bonds5

About 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide

2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide (PubChem CID 2800371) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
PubChem CID2800371
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H21N3O6/c1-10-8-11(2)16(12(3)9-10)20-19(24)21-18(23)15-14(27-4)7-6-13(22(25)26)17(15)28-5/h6-9H,1-5H3,(H2,20,21,23,24)
InChIKeyCDAWEBAYONAYLL-UHFFFAOYSA-N
XLogP3.50
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
CID 2800381
2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
CID 2800369
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
CID 2800501
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
2-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 924125
(2,4,6-trimethylphenyl) 4-methoxy-3-nitrobenzoate
CID 8915402
3-bromo-N-[(3,5-dichlorophenyl)carbamoyl]-2,6-dimethoxy-5-nitrobenzamide
CID 2800493
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide (CID 2800371) is 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide is COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide?
The InChIKey is CDAWEBAYONAYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-10-8-11(2)16(12(3)9-10)20-19(24)21-18(23)15-14(27-4)7-6-13(22(25)26)17(15)28-5/h6-9H,1-5H3,(H2,20,21,23,24).
What are the key properties of 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide?
2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide has a molecular weight of 387.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 2800371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).