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Chemical ID: 5787835
Chemical ID:
5787835
Name [?]:
2-[methyl-(2,2,6,6-tetramethyl-4-piperidyl)-carbamoyl]benzoic acid
SMILES [?]:
CC1(CC(CC(N1)(C)C)N(C)C(=O)c2ccccc2C(=O)O)C
InChi [?]:
InChI=1/C18H26N2O3/c1-17(2)10-12(11-18(3,4)19-17)20(5)15(21)13-8-6-7-9-14(13)16(22)23/h6-9,12,19H,10-11H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,8,9,11,16,17,15,18,3,5,4,14,19,12,20,2,6,7,10,13,21,22/E:(1,2,3,4)(10,11)(17,18)(22,23)/rA:23nCCCCCCNCCNCCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s10;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38119 |
Area: | 509.431 |
Solvation: | -3.35457 |
Coulombic: | -53.0696 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.411 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.1 |
LogP (Chemaxon): | -2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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