N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide

C15H16N2O5 — CID 90582669

IUPACN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5/c1-21-9-7-16(10-12-6-8-22-11-12)15(18)13-2-4-14(5-3-13)17(19)20/h2-6,8,11H,7,9-10H2,1H3
InChIKeyNMGHSWSHHAQJOD-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.48
Rot. Bonds7

About N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide (PubChem CID 90582669) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
PubChem CID90582669
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
SMILESCOCCN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N2O5/c1-21-9-7-16(10-12-6-8-22-11-12)15(18)13-2-4-14(5-3-13)17(19)20/h2-6,8,11H,7,9-10H2,1H3
InChIKeyNMGHSWSHHAQJOD-UHFFFAOYSA-N
XLogP2.48
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 71803989
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71803965
N-[2-(furan-3-yl)ethyl]-4-nitrobenzamide
CID 90558290
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 73167845
2-[(4-nitrobenzoyl)-[2-(4-nitrobenzoyl)oxyethyl]amino]ethyl 4-nitrobenzoate
CID 71331099
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90582750
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-nitrobenzamide
CID 42663042
N-[2-(furan-3-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 90558308
3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582835

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide (CID 90582669) is N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide is COCCN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The InChIKey is NMGHSWSHHAQJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-21-9-7-16(10-12-6-8-22-11-12)15(18)13-2-4-14(5-3-13)17(19)20/h2-6,8,11H,7,9-10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide has a molecular weight of 304.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide is sourced from PubChem (CID 90582669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).