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N-(adamantan-1-yl)adamantane-1-carboxamide

N-(adamantan-1-yl)adamantane-1-carboxamide

Formula: C21H31NO

SMILES: O=C(NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

IUPAC: N-(adamantan-1-yl)adamantane-1-carboxamide

InChI: InChI=1S/C21H31NO/c23-19(20-7-13-1-14(8-20)3-15(2-13)9-20)22-21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2,(H,22,23)

Composition: C (80.46%), H (9.97%), N (4.47%), O (5.10%)

Molar Mass: 313.485

Atom Count: 54

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 313.240564622
Formal Charge 0
FSP3 0.95
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QQKCCOMZCCBHSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.72
Topological Polar Surface Area 29.1
Polarizability 36.24
Ring Count 6
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H31NO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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