4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

C25H26N2O6 — CID 55749777

IUPAC4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O6/c1-3-32-24-16-22(27(29)30)21(15-23(24)31-2)25(28)26-14-13-18-9-11-20(12-10-18)33-17-19-7-5-4-6-8-19/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,26,28)
InChIKeyWAFOYOUHXSAMBW-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.55
Rot. Bonds11

About 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 55749777) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID55749777
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O6/c1-3-32-24-16-22(27(29)30)21(15-23(24)31-2)25(28)26-14-13-18-9-11-20(12-10-18)33-17-19-7-5-4-6-8-19/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,26,28)
InChIKeyWAFOYOUHXSAMBW-UHFFFAOYSA-N
XLogP4.55
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.55
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-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 24540627
4-chloro-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 60517936
N-[2-(benzylsulfamoyl)ethyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55795890
N-[3-[4-(dimethylamino)phenyl]propyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 37269964
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
CID 55745361
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55633974
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
methyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
CID 22667033
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (CID 55749777) is 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is WAFOYOUHXSAMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-3-32-24-16-22(27(29)30)21(15-23(24)31-2)25(28)26-14-13-18-9-11-20(12-10-18)33-17-19-7-5-4-6-8-19/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,26,28).
What are the key properties of 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 450.49 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55749777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).