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N-[4-(adamantane-1-amido)phenyl]adamantane-1-carboxamide

N-[4-(adamantane-1-amido)phenyl]adamantane-1-carboxamide

Formula: C28H36N2O2

SMILES: O=C(NC1=CC=C(NC(=O)C23CC4CC(CC(C4)C2)C3)C=C1)C12CC3CC(CC(C3)C1)C2

IUPAC: N-[4-(adamantane-1-amido)phenyl]adamantane-1-carboxamide

InChI: InChI=1S/C28H36N2O2/c31-25(27-11-17-5-18(12-27)7-19(6-17)13-27)29-23-1-2-24(4-3-23)30-26(32)28-14-20-8-21(15-28)10-22(9-20)16-28/h1-4,17-22H,5-16H2,(H,29,31)(H,30,32)

Composition: C (77.74%), H (8.39%), N (6.48%), O (7.40%)

Molar Mass: 432.608

Atom Count: 68

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 432.277678407
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RSQGAEHNYWFBPY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 127.27
Topological Polar Surface Area 58.2
Polarizability 48.86
Ring Count 7
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H36N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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