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4-{[4-(furan-2-amido)phenyl]carbamoyl}butanoic acid

4-{[4-(furan-2-amido)phenyl]carbamoyl}butanoic acid

Formula: C16H16N2O5

SMILES: OC(=O)CCCC(=O)NC1=CC=C(NC(=O)C2=CC=CO2)C=C1

IUPAC: 4-{[4-(furan-2-amido)phenyl]carbamoyl}butanoic acid

InChI: InChI=1S/C16H16N2O5/c19-14(4-1-5-15(20)21)17-11-6-8-12(9-7-11)18-16(22)13-3-2-10-23-13/h2-3,6-10H,1,4-5H2,(H,17,19)(H,18,22)(H,20,21)

Composition: C (60.76%), H (5.10%), N (8.86%), O (25.29%)

Molar Mass: 316.313

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 316.105921623
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NTWCESJOEAPZQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.34
Topological Polar Surface Area 108.64
Polarizability 30.81
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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