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

C17H19N3O4 — CID 41262664

IUPAC2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O4/c1-2-24-16-6-4-3-5-15(16)17(21)19-12-11-18-13-7-9-14(10-8-13)20(22)23/h3-10,18H,2,11-12H2,1H3,(H,19,21)
InChIKeyUOQALFWCYQOXLE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.84
Rot. Bonds8

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

2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide (PubChem CID 41262664) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
PubChem CID41262664
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O4/c1-2-24-16-6-4-3-5-15(16)17(21)19-12-11-18-13-7-9-14(10-8-13)20(22)23/h3-10,18H,2,11-12H2,1H3,(H,19,21)
InChIKeyUOQALFWCYQOXLE-UHFFFAOYSA-N
XLogP2.84
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893
2-methylsulfanyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446065
N-[2-(4-nitroanilino)ethyl]-2-[2-oxo-2-(2-phenylanilino)ethoxy]benzamide
CID 38112705
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9316962
2-ethoxy-N-[4-(3-nitroanilino)-4-oxobutyl]benzamide
CID 9070894
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-(4-nitrophenyl)aniline
CID 4763832
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide (CID 41262664) is 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide is CCOc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
The InChIKey is UOQALFWCYQOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-24-16-6-4-3-5-15(16)17(21)19-12-11-18-13-7-9-14(10-8-13)20(22)23/h3-10,18H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide?
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 41262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).