N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide

C18H20N2O7 — CID 34051188

IUPACN-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H20N2O7/c1-5-27-17-9-12(14(20(22)23)10-16(17)26-4)18(21)19-13-8-11(24-2)6-7-15(13)25-3/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeyWRMQEQNXNQPRGO-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.27
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide

N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide (PubChem CID 34051188) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
PubChem CID34051188
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC NameN-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H20N2O7/c1-5-27-17-9-12(14(20(22)23)10-16(17)26-4)18(21)19-13-8-11(24-2)6-7-15(13)25-3/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeyWRMQEQNXNQPRGO-UHFFFAOYSA-N
XLogP3.27
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
methyl 2-[4-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-3-methylphenoxy]acetate
CID 55916364
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
N-(4-bromo-2-fluorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532466
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide (CID 34051188) is N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
The InChIKey is WRMQEQNXNQPRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-5-27-17-9-12(14(20(22)23)10-16(17)26-4)18(21)19-13-8-11(24-2)6-7-15(13)25-3/h6-10H,5H2,1-4H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide?
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide has a molecular weight of 376.37 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 34051188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).