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3-{[3-(3-phenylpropanamido)phenyl]carbamoyl}propanoic acid

3-{[3-(3-phenylpropanamido)phenyl]carbamoyl}propanoic acid

CAS: 940507-15-3

Formula: C19H20N2O4

SMILES: OC(=O)CCC(=O)NC1=CC(NC(=O)CCC2=CC=CC=C2)=CC=C1

IUPAC: 3-{[3-(3-phenylpropanamido)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C19H20N2O4/c22-17(10-9-14-5-2-1-3-6-14)20-15-7-4-8-16(13-15)21-18(23)11-12-19(24)25/h1-8,13H,9-12H2,(H,20,22)(H,21,23)(H,24,25)

Composition: C (67.05%), H (5.92%), N (8.23%), O (18.80%)

Molar Mass: 340.379

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 340.142307132
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey OEKOVQJLYNSHHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96
Topological Polar Surface Area 95.5
Polarizability 35.73
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940507-15-3 $212.83-$327.27$212.83$327.27
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