Chemical ID: 5012758

CC(=O)N(Cc1ccccc1OC(=O)C)C2CCCCC2
Chemical ID:
5012758
Name [?]:
[2-[(acetyl-cyclohexyl-amino)methyl]phenyl] acetate
SMILES [?]:
CC(=O)N(Cc1ccccc1OC(=O)C)C2CCCCC2
InChi [?]:
InChI=1/C17H23NO3/c1-13(19)18(16-9-4-3-5-10-16)12-15-8-6-7-11-17(15)21-14(2)20/h6-8,11,16H,3-5,9-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,19,18,20,8,9,7,17,21,10,5,2,13,6,16,11,4,3,14,12/E:(4,5)(9,10)/rA:21nCCONCCCCCCCOCOCCCCCCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s4;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.52039
Area:452.446
Solvation:-2.79075
Coulombic:-34.0101
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.369
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):2.32

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Descriptor Annotations

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