N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide

C18H19N3O6 — CID 2800381

IUPACN-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H19N3O6/c1-10-6-5-7-11(2)15(10)19-18(23)20-17(22)14-13(26-3)9-8-12(21(24)25)16(14)27-4/h5-9H,1-4H3,(H2,19,20,22,23)
InChIKeyKHIAVLZRGQVBSJ-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.19
Rot. Bonds5

About N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide

N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide (PubChem CID 2800381) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
PubChem CID2800381
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H19N3O6/c1-10-6-5-7-11(2)15(10)19-18(23)20-17(22)14-13(26-3)9-8-12(21(24)25)16(14)27-4/h5-9H,1-4H3,(H2,19,20,22,23)
InChIKeyKHIAVLZRGQVBSJ-UHFFFAOYSA-N
XLogP3.19
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.19
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

2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
CID 2800371
2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
CID 2800369
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
CID 2800501
N-(2,6-dimethylphenyl)-2-(3-methoxy-N-methyl-4-nitroanilino)acetamide
CID 133334396
N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2-methylbenzamide
CID 17100410
1-(2-methyl-6-nitrophenyl)-3-phenylurea
CID 3703717
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706297
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide
CID 121167331
3-bromo-N-[(3,5-dichlorophenyl)carbamoyl]-2,6-dimethoxy-5-nitrobenzamide
CID 2800493

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide?
The IUPAC name of N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide (CID 2800381) is N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide is COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide?
The InChIKey is KHIAVLZRGQVBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-10-6-5-7-11(2)15(10)19-18(23)20-17(22)14-13(26-3)9-8-12(21(24)25)16(14)27-4/h5-9H,1-4H3,(H2,19,20,22,23).
What are the key properties of N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide?
N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide has a molecular weight of 373.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide is sourced from PubChem (CID 2800381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).