CC(C)(C)OC(=O)NC1=C(C(=CC=C1)OC)CC(=O)C2CC2
이름: tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-3-methoxyphenyl]carbamate
SMILES: CC(C)(C)OC(=O)NC1=C(C(=CC=C1)OC)CC(=O)C2CC2

Molecular Processing

Molecular formula
C17H23NO4
Molecular weight
305.37
Exact mass
305.1627
XLogP
3.56
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.29

Supplementary Information

InChIKey: JNXQFYLWVYQQRG-UHFFFAOYSA-N
동의어
SCHEMBL2157395JNXQFYLWVYQQRG-UHFFFAOYSA-N[2-(tert-butoxycarbonylamino)-6-methoxyphenyl]methyl cyclopropyl ketone
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