Chemical ID: 3967958

CCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O
Chemical ID:
3967958
Name [?]:
4-diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate
SMILES [?]:
CCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O
InChi [?]:
InChI=1/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,17,23,16,18,22,24,7,8,15,19,21,25,6,9,14,20,11,13,3,12,26,10/E:(1,2)(3,4)(7,8)(9,10)(13,14)(15,16)/rA:26cCCNCCCCCCOCOCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;t7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s13;s20;s21;s22;s23;s20s24;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.21
Area:609.228
Solvation:-3.02069
Coulombic:-46.5772
Bond Count [?]
All:27
Single:22
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:357.486
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.34
LogP (Chemaxon):4.01

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