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Chemical ID: 5759945
Chemical ID:
5759945
Name [?]:
methyl 4-[2-(4-hydroxy-4-phenyl-1-piperidyl)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccc(cc1)NC(=O)CN2CCC(CC2)(c3ccccc3)O
InChi [?]:
InChI=1/C21H24N2O4/c1-27-20(25)16-7-9-18(10-8-16)22-19(24)15-23-13-11-21(26,12-14-23)17-5-3-2-4-6-17/h2-10,26H,11-15H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,6,10,7,9,17,19,16,20,14,5,21,8,12,3,18,11,15,13,4,27,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCOCOCCCCCCNCOCNCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s18;s21;d22;s23;d24;d21s25;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2032 |
Area: | 595.218 |
Solvation: | -4.67727 |
Coulombic: | -63.1499 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.426 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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