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N-{3-[(1Z)-1-[(carbamoylformamido)imino]ethyl]phenyl}cyclohexanecarboxamide

N-{3-[(1Z)-1-[(carbamoylformamido)imino]ethyl]phenyl}cyclohexanecarboxamide

Formula: C17H22N4O3

SMILES: CC(=NNC(=O)C(N)=O)C1=CC=CC(NC(=O)C2CCCCC2)=C1

IUPAC: N-{3-[(1Z)-1-[(carbamoylformamido)imino]ethyl]phenyl}cyclohexanecarboxamide

InChI: InChI=1S/C17H22N4O3/c1-11(20-21-17(24)15(18)22)13-8-5-9-14(10-13)19-16(23)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H2,18,22)(H,19,23)(H,21,24)/b20-11-

Composition: C (61.80%), H (6.71%), N (16.96%), O (14.53%)

Molar Mass: 330.388

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 330.169190584
Formal Charge 0
FSP3 0.41
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey MKTAXUZMSGURQV-JAIQZWGSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.07
Topological Polar Surface Area 113.65
Polarizability 34.22
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H22N4O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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