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methyl 2-{[(adamantan-1-yl)carbamoyl]amino}-4,5-dimethoxybenzoate

methyl 2-{[(adamantan-1-yl)carbamoyl]amino}-4,5-dimethoxybenzoate

Formula: C21H28N2O5

SMILES: COC(=O)C1=CC(OC)=C(OC)C=C1NC(=O)NC12CC3CC(CC(C3)C1)C2

IUPAC: methyl 2-{[(adamantan-1-yl)carbamoyl]amino}-4,5-dimethoxybenzoate

InChI: InChI=1S/C21H28N2O5/c1-26-17-7-15(19(24)28-3)16(8-18(17)27-2)22-20(25)23-21-9-12-4-13(10-21)6-14(5-12)11-21/h7-8,12-14H,4-6,9-11H2,1-3H3,(H2,22,23,25)

Composition: C (64.93%), H (7.27%), N (7.21%), O (20.59%)

Molar Mass: 388.464

Atom Count: 56

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 388.19982201
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FEILMLHCNIBXLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.06
Topological Polar Surface Area 85.89
Polarizability 40.23
Ring Count 4
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H28N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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