4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide

C19H22N2O6 — CID 26644252

IUPAC4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-4-27-18-12-16(21(23)24)15(11-17(18)26-3)19(22)20-10-9-13-5-7-14(25-2)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyALOXOJVURHPEBN-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.98
Rot. Bonds9

About 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide

4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide (PubChem CID 26644252) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
PubChem CID26644252
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OC)cc2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-4-27-18-12-16(21(23)24)15(11-17(18)26-3)19(22)20-10-9-13-5-7-14(25-2)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22)
InChIKeyALOXOJVURHPEBN-UHFFFAOYSA-N
XLogP2.98
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.98
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-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777
N-[3-[4-(dimethylamino)phenyl]propyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 37269964
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
5-ethoxy-4-methoxy-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 24540627
N-(3-aminopropyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119405488
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
CID 55745361
5-ethoxy-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide?
The IUPAC name of 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide (CID 26644252) is 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OC)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide?
The InChIKey is ALOXOJVURHPEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-4-27-18-12-16(21(23)24)15(11-17(18)26-3)19(22)20-10-9-13-5-7-14(25-2)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,20,22).
What are the key properties of 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide?
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide has a molecular weight of 374.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide is sourced from PubChem (CID 26644252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).