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tert-butyl N-[(1S,2R)-2-[4-(oxan-2-yloxy)phenyl]cyclopropyl]carbamate

tert-butyl N-[(1S,2R)-2-[4-(oxan-2-yloxy)phenyl]cyclopropyl]carbamate

CAS: 1946017-76-0

Formula: C19H27NO4

SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C1=CC=C(OC2CCCCO2)C=C1

IUPAC: tert-butyl N-[(1S,2R)-2-[4-(oxan-2-yloxy)phenyl]cyclopropyl]carbamate

InChI: InChI=1S/C19H27NO4/c1-19(2,3)24-18(21)20-16-12-15(16)13-7-9-14(10-8-13)23-17-6-4-5-11-22-17/h7-10,15-17H,4-6,11-12H2,1-3H3,(H,20,21)/t15-,16+,17?/m1/s1

Composition: C (68.44%), H (8.16%), N (4.20%), O (19.19%)

Molar Mass: 333.428

Atom Count: 51

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 333.194008353
Formal Charge 0
FSP3 0.63
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GMBMJUCZTQHNDM-GARXDOFDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.07
Topological Polar Surface Area 56.79
Polarizability 36.08
Ring Count 3
Rotatable Bond Count 6

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