2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide

C16H16N2O6 — CID 4285710

IUPAC2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H16N2O6/c1-22-12-5-4-6-13(23-2)15(12)16(19)17-11-8-7-10(18(20)21)9-14(11)24-3/h4-9H,1-3H3,(H,17,19)
InChIKeyBZBZXKGPGGDXNT-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.87
Rot. Bonds6

About 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide

2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 4285710) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID4285710
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C16H16N2O6/c1-22-12-5-4-6-13(23-2)15(12)16(19)17-11-8-7-10(18(20)21)9-14(11)24-3/h4-9H,1-3H3,(H,17,19)
InChIKeyBZBZXKGPGGDXNT-UHFFFAOYSA-N
XLogP2.87
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
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

1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide
CID 3643668
1-(2-methoxy-4-nitrophenyl)-3-(2-sulfanylphenyl)urea
CID 108886341
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
N-(2-methoxy-4-nitrophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224349

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide (CID 4285710) is 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is BZBZXKGPGGDXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-12-5-4-6-13(23-2)15(12)16(19)17-11-8-7-10(18(20)21)9-14(11)24-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide?
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 332.31 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 4285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).