N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide

C14H15NO3 — CID 44578157

IUPACN-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1=CCOC1=O
InChIInChI=1S/C14H15NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16)
InChIKeyPWLBHEHOBMGUAT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.57
Rot. Bonds5

About N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide

N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide (PubChem CID 44578157) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide
PubChem CID44578157
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NC1=CCOC1=O
InChIInChI=1S/C14H15NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16)
InChIKeyPWLBHEHOBMGUAT-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The IUPAC name of N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide (CID 44578157) is N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The canonical SMILES for N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide is O=C(CCCc1ccccc1)NC1=CCOC1=O.
What is the InChIKey of N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
The InChIKey is PWLBHEHOBMGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,15,16).
What are the key properties of N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide?
N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide has a molecular weight of 245.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-2H-furan-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 44578157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).