N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide

C12H17N3O5 — CID 18169069

IUPACN-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCCONC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5/c1-3-20-14-12(16)9-4-5-10(13-6-7-19-2)11(8-9)15(17)18/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyCKDLWBYSUGPWKH-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.33
Rot. Bonds8

About N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide

N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide (PubChem CID 18169069) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
PubChem CID18169069
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
SMILESCCONC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O5/c1-3-20-14-12(16)9-4-5-10(13-6-7-19-2)11(8-9)15(17)18/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyCKDLWBYSUGPWKH-UHFFFAOYSA-N
XLogP1.33
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.33
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

4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
N-(4-ethylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826267
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-(2-carbamoylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 9399328
ethyl 5-[[4-(2-methoxyethylamino)-3-nitrobenzoyl]amino]-3-methylthiophene-2-carboxylate
CID 55394027
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
4-(4-methoxybutylamino)-3-nitrobenzoic acid
CID 60965695
N-(5-fluoro-2-methylphenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 26721757

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide?
The IUPAC name of N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide (CID 18169069) is N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide.
What is the SMILES notation for N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide?
The canonical SMILES for N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide is CCONC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide?
The InChIKey is CKDLWBYSUGPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-20-14-12(16)9-4-5-10(13-6-7-19-2)11(8-9)15(17)18/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide?
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide has a molecular weight of 283.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide is sourced from PubChem (CID 18169069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).