4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide

C18H21N3O5 — CID 9308893

IUPAC4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C18H21N3O5/c1-3-26-16-9-4-13(12-17(16)25-2)18(22)20-11-10-19-14-5-7-15(8-6-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyUAQWMVJJXJOOTQ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.84
Rot. Bonds9

About 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide

4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide (PubChem CID 9308893) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
PubChem CID9308893
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C18H21N3O5/c1-3-26-16-9-4-13(12-17(16)25-2)18(22)20-11-10-19-14-5-7-15(8-6-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyUAQWMVJJXJOOTQ-UHFFFAOYSA-N
XLogP2.84
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(2-methylpropoxy)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308635
3-bromo-4-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9317011
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722316
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 41262664
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308454
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
3-methoxy-N-[3-(4-nitroanilino)propyl]benzamide
CID 585373
4-(2-methylpropoxy)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308633
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392573

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide (CID 9308893) is 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide is CCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The InChIKey is UAQWMVJJXJOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-3-26-16-9-4-13(12-17(16)25-2)18(22)20-11-10-19-14-5-7-15(8-6-14)21(23)24/h4-9,12,19H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide has a molecular weight of 359.38 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 9308893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).