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tert-butyl N-[(4-carbamoylphenyl)methyl]carbamate

tert-butyl N-[(4-carbamoylphenyl)methyl]carbamate

CAS: 871721-44-7

Formula: C13H18N2O3

SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(N)=O

IUPAC: tert-butyl N-[(4-carbamoylphenyl)methyl]carbamate

InChI: InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-8-9-4-6-10(7-5-9)11(14)16/h4-7H,8H2,1-3H3,(H2,14,16)(H,15,17)

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 250.131742448
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey PMINPRFNLNPWDV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.48
Topological Polar Surface Area 81.42
Polarizability 26.13
Ring Count 1
Rotatable Bond Count 5

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