N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide

C21H23NO4 — CID 51296872

IUPACN-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCCOCc1ccco1
InChIInChI=1S/C21H23NO4/c23-21(22-13-5-14-24-16-19-8-4-15-25-19)12-10-18-9-11-20(26-18)17-6-2-1-3-7-17/h1-4,6-9,11,15H,5,10,12-14,16H2,(H,22,23)
InChIKeyGQPNREFRXSNMNJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.20
Rot. Bonds10

About N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide

N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 51296872) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID51296872
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)o1)NCCCOCc1ccco1
InChIInChI=1S/C21H23NO4/c23-21(22-13-5-14-24-16-19-8-4-15-25-19)12-10-18-9-11-20(26-18)17-6-2-1-3-7-17/h1-4,6-9,11,15H,5,10,12-14,16H2,(H,22,23)
InChIKeyGQPNREFRXSNMNJ-UHFFFAOYSA-N
XLogP4.20
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide (CID 51296872) is N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide is O=C(CCc1ccc(-c2ccccc2)o1)NCCCOCc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is GQPNREFRXSNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-21(22-13-5-14-24-16-19-8-4-15-25-19)12-10-18-9-11-20(26-18)17-6-2-1-3-7-17/h1-4,6-9,11,15H,5,10,12-14,16H2,(H,22,23).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 353.42 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 51296872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).