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

C14H14N2O4 — CID 2887620

IUPAC3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H14N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyOKKPIGVGNNUGPT-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.07
Rot. Bonds5

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

3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide (PubChem CID 2887620) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
PubChem CID2887620
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C14H14N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyOKKPIGVGNNUGPT-UHFFFAOYSA-N
XLogP3.07
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 754985
(2E)-N-[4-(cyanomethyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 686860
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
N-(2-chloro-4-nitrophenyl)-3-(5-methyl-2-furyl)propanamide
CID 2918839
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
CID 2981957
2,5-dimethyl-N-(3-nitrophenyl)furan-3-carboxamide
CID 841179
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877
N-[4-(acetylamino)phenyl]-5-nitro-2-furamide
CID 3858737

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide (CID 2887620) is 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide?
The InChIKey is OKKPIGVGNNUGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-2-7-13(20-10)8-9-14(17)15-11-3-5-12(6-4-11)16(18)19/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide?
3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2887620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).