CCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C#CCCCCCC)C(=O)C(=O)OCC
Name: ethyl 2-[bis[(4-oct-1-ynylphenyl)methyl]amino]-2-oxoacetate
SMILES: CCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C#CCCCCCC)C(=O)C(=O)OCC

Molecular Processing

Molecular formula
C34H43NO3
Molecular weight
513.72
Exact mass
513.3243
XLogP
7.42
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
13
Heavy atoms
38
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
155.04

Supplementary Information

InChIKey: CRGYPVSFYJEXQA-UHFFFAOYSA-N
Synonyme
SCHEMBL1855704CRGYPVSFYJEXQA-UHFFFAOYSA-Nethyl[biS(4-oct-1-ynylbenzyl)amino](oxo)acetate
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