N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide

C18H20N2O6 — CID 1265698

IUPACN-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC
InChIInChI=1S/C18H20N2O6/c1-4-25-16-9-7-13(11-17(16)26-5-2)19-18(21)12-6-8-15(24-3)14(10-12)20(22)23/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyZXCXBKGZWLABRJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.65
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide

N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 1265698) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
PubChem CID1265698
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC
InChIInChI=1S/C18H20N2O6/c1-4-25-16-9-7-13(11-17(16)26-5-2)19-18(21)12-6-8-15(24-3)14(10-12)20(22)23/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyZXCXBKGZWLABRJ-UHFFFAOYSA-N
XLogP3.65
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.65
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

4-bromo-N-(4-ethoxy-3-methoxyphenyl)-3-nitrobenzamide
CID 9100253
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-[4-[(2S)-butan-2-yl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7303730
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide (CID 1265698) is N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide is CCOc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is ZXCXBKGZWLABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-4-25-16-9-7-13(11-17(16)26-5-2)19-18(21)12-6-8-15(24-3)14(10-12)20(22)23/h6-11H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide?
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 360.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 1265698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).