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benzyl N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamate

benzyl N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamate

CAS: 19898-39-6

Formula: C17H18N2O4

SMILES: NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamate

InChI: InChI=1S/C17H18N2O4/c18-16(21)15(10-12-6-8-14(20)9-7-12)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,20H,10-11H2,(H2,18,21)(H,19,22)/t15-/m0/s1

Composition: C (64.96%), H (5.77%), N (8.91%), O (20.36%)

Molar Mass: 314.341

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 314.126657068
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey DJPCVJYIWLEUBO-HNNXBMFYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.6
Topological Polar Surface Area 101.65
Polarizability 32.85
Ring Count 2
Rotatable Bond Count 7

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