N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide

C21H20N2O3 — CID 22986846

IUPACN-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C21H20N2O3/c22-18-8-4-5-9-19(18)23-21(25)13-12-16-10-11-17(26-16)14-20(24)15-6-2-1-3-7-15/h1-11H,12-14,22H2,(H,23,25)
InChIKeyGRPAPMCJSYGKFO-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.86
Rot. Bonds7

About N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide

N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide (PubChem CID 22986846) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide
PubChem CID22986846
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C21H20N2O3/c22-18-8-4-5-9-19(18)23-21(25)13-12-16-10-11-17(26-16)14-20(24)15-6-2-1-3-7-15/h1-11H,12-14,22H2,(H,23,25)
InChIKeyGRPAPMCJSYGKFO-UHFFFAOYSA-N
XLogP3.86
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide (CID 22986846) is N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide is Nc1ccccc1NC(=O)CCc1ccc(CC(=O)c2ccccc2)o1.
What is the InChIKey of N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide?
The InChIKey is GRPAPMCJSYGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-18-8-4-5-9-19(18)23-21(25)13-12-16-10-11-17(26-16)14-20(24)15-6-2-1-3-7-15/h1-11H,12-14,22H2,(H,23,25).
What are the key properties of N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide?
N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide has a molecular weight of 348.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(5-phenacylfuran-2-yl)propanamide is sourced from PubChem (CID 22986846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).