N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide

C15H16N2O5 — CID 16648625

IUPACN-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5/c1-10-3-4-11(22-10)6-8-15(18)16-13-7-5-12(21-2)9-14(13)17(19)20/h3-5,7,9H,6,8H2,1-2H3,(H,16,18)
InChIKeyPMLKTRYBONOZSR-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.08
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide

N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 16648625) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID16648625
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(C)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O5/c1-10-3-4-11(22-10)6-8-15(18)16-13-7-5-12(21-2)9-14(13)17(19)20/h3-5,7,9H,6,8H2,1-2H3,(H,16,18)
InChIKeyPMLKTRYBONOZSR-UHFFFAOYSA-N
XLogP3.08
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
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

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9103275
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 19553863
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
N-(4-methoxy-2-nitrophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192871

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 16648625) is N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide is COc1ccc(NC(=O)CCc2ccc(C)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is PMLKTRYBONOZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10-3-4-11(22-10)6-8-15(18)16-13-7-5-12(21-2)9-14(13)17(19)20/h3-5,7,9H,6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 304.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 16648625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).