Chemical ID: 4119267

CC(C)Oc1ccc(cc1)C(=O)NCCCCCC(=O)O
Chemical ID:
4119267
Name [?]:
6-(4-isopropoxybenzoyl)aminohexanoic acid
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)NCCCCCC(=O)O
InChi [?]:
InChI=1/C16H23NO4/c1-12(2)21-14-9-7-13(8-10-14)16(20)17-11-5-3-4-6-15(18)19/h7-10,12H,3-6,11H2,1-2H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,15,18,7,9,6,10,14,2,8,5,19,11,13,20,21,12,4/E:(1,2)(7,8)(9,10)(18,19)/rA:21nCCCOCCCCCCCONCCCCCCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H23NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.70132
Area:546.157
Solvation:-3.9526
Coulombic:-55.7829
Bond Count [?]
All:21
Single:16
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:293.358
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):2.21

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