5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide

C17H19N3O7 — CID 31638717

IUPAC5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O7/c1-3-26-15-7-12(13(20(23)24)8-14(15)25-2)17(22)19-10-16(21)18-9-11-5-4-6-27-11/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNGLLQLBMNQMOJW-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.64
Rot. Bonds9

About 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide

5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide (PubChem CID 31638717) has the molecular formula C17H19N3O7 and a molecular weight of 377.35 g/mol. Its IUPAC name is 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
PubChem CID31638717
Molecular FormulaC17H19N3O7
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H19N3O7/c1-3-26-15-7-12(13(20(23)24)8-14(15)25-2)17(22)19-10-16(21)18-9-11-5-4-6-27-11/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNGLLQLBMNQMOJW-UHFFFAOYSA-N
XLogP1.64
TPSA132.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methoxy-2-nitrobenzamide
CID 55451253
5-ethoxy-N-[(3-ethoxyphenyl)methyl]-4-methoxy-2-nitrobenzamide
CID 55745361
4-ethoxy-5-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-2-nitrobenzamide
CID 55539218
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
5-ethoxy-4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-nitrobenzamide
CID 16962072
N-[(3-chlorophenyl)methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 9402079
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030
2-(4-fluoro-5-methoxy-2-nitroanilino)-N-(furan-2-ylmethyl)acetamide
CID 75379407
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 26953131
N-(2-amino-2-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide?
The IUPAC name of 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide (CID 31638717) is 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide?
The canonical SMILES for 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)NCC(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide?
The InChIKey is NGLLQLBMNQMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7/c1-3-26-15-7-12(13(20(23)24)8-14(15)25-2)17(22)19-10-16(21)18-9-11-5-4-6-27-11/h4-8H,3,9-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide?
5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide has a molecular weight of 377.35 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 31638717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).