CCOC(=O)COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3CCC(CC3)C(C)(C)C)OC
이름: ethyl 2-[4-[2-[3-(4-tert-butylcyclohexyl)anilino]-2-oxoethyl]-2-methoxyphenoxy]acetate
SMILES: CCOC(=O)COC1=C(C=C(C=C1)CC(=O)NC2=CC=CC(=C2)C3CCC(CC3)C(C)(C)C)OC

Molecular Processing

Molecular formula
C29H39NO5
Molecular weight
481.63
Exact mass
481.2828
XLogP
6.14
TPSA
73.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
138.05

Supplementary Information

InChIKey: KEELYKBHFXRJJH-UHFFFAOYSA-N
동의어
SCHEMBL6101229KEELYKBHFXRJJH-UHFFFAOYSA-NN-[3-(4-tert-butylcyclohexan-1-yl)phenyl]-4-ethoxycarbonylmethyloxy 3-methoxyphenylacetamideN-[3-(4-tert-Butylcyclohexan-1-yl)phenyl]-4-ethoxycarbonylmethyloxy-3-methoxyphenylacetamide
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