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tert-butyl N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate

tert-butyl N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate

CAS: 929693-30-1

Formula: C14H26N2O4

SMILES: CN(C)C(=O)[C@H]1CC[C@@H](O)[C@@H](C1)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(1R,2R,5S)-5-(dimethylcarbamoyl)-2-hydroxycyclohexyl]carbamate

InChI: InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)15-10-8-9(6-7-11(10)17)12(18)16(4)5/h9-11,17H,6-8H2,1-5H3,(H,15,19)/t9-,10+,11+/m0/s1

Composition: C (58.72%), H (9.15%), N (9.78%), O (22.35%)

Molar Mass: 286.372

Atom Count: 46

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 286.189257325
Formal Charge 0
FSP3 0.86
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LSKOADYNXKBDTP-HBNTYKKESA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.02
Topological Polar Surface Area 78.87
Polarizability 29.57
Ring Count 1
Rotatable Bond Count 4

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