4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide

C18H20N2O5 — CID 743984

IUPAC4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H20N2O5/c1-10-6-11(2)17(12(3)7-10)19-18(21)13-8-15(24-4)16(25-5)9-14(13)20(22)23/h6-9H,1-5H3,(H,19,21)
InChIKeyLEEFDBUYZXURGL-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.79
Rot. Bonds5

About 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide

4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 743984) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID743984
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H20N2O5/c1-10-6-11(2)17(12(3)7-10)19-18(21)13-8-15(24-4)16(25-5)9-14(13)20(22)23/h6-9H,1-5H3,(H,19,21)
InChIKeyLEEFDBUYZXURGL-UHFFFAOYSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.79
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

Benzamide, N-(3,4-dimethoxyphenyl)-N-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-4-nitro-
CID 656771
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 2304675
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-nitrobenzamide
CID 759615
4,5-dimethoxy-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 775341
(3,4-Dihydro-2H-quinolin-1-yl)-(4,5-dimethoxy-2-nitro-phenyl)-methanone
CID 775344
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1346584
Methyl 4,5-dimethoxy-2-[(4-methoxybenzoyl)amino]benzoate
CID 584792
6,7-Dimethoxy-3-p-tolyl-1H-quinazoline-2,4-dione
CID 718445
N-(7-Benzoyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 787512
Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 44367760
(4,5-Dimethoxy-2-nitrophenyl)(phenyl)methanone
CID 745169
Methyl 2-benzamido-4,5-dimethoxybenzoate
CID 717865

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide (CID 743984) is 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide is COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is LEEFDBUYZXURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-10-6-11(2)17(12(3)7-10)19-18(21)13-8-15(24-4)16(25-5)9-14(13)20(22)23/h6-9H,1-5H3,(H,19,21).
What are the key properties of 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide?
4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-nitro-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 743984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).