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3-{[(tert-butoxycarbonyl)amino]amino}-N-(2-methoxy-5-methylphenyl)but-2-enamide

3-{[(tert-butoxycarbonyl)amino]amino}-N-(2-methoxy-5-methylphenyl)but-2-enamide

Formula: C17H25N3O4

SMILES: COC1=CC=C(C)C=C1NC(=O)C=C(C)NNC(=O)OC(C)(C)C

IUPAC: 3-({[(tert-butoxy)carbonyl]amino}amino)-N-(2-methoxy-5-methylphenyl)but-2-enamide

InChI: InChI=1S/C17H25N3O4/c1-11-7-8-14(23-6)13(9-11)18-15(21)10-12(2)19-20-16(22)24-17(3,4)5/h7-10,19H,1-6H3,(H,18,21)(H,20,22)

Composition: C (60.88%), H (7.51%), N (12.53%), O (19.08%)

Molar Mass: 335.404

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 335.184506297
Formal Charge 0
FSP3 0.41
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VPONJDQLGFWOFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.32
Topological Polar Surface Area 88.69
Polarizability 35.2
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H25N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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