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Chemical ID: 7343790
Chemical ID:
7343790
Name [?]:
1-(2-amino-4-methyl-pentanoyl)-N-[1-[(2-methoxyphenyl)methylcarbamoyl]ethyl]piperidine-4-carboxamide
SMILES [?]:
CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(C)C(=O)NCc2ccccc2OC)N
InChi [?]:
InChI=1/C23H36N4O4/c1-15(2)13-19(24)23(30)27-11-9-17(10-12-27)22(29)26-16(3)21(28)25-14-18-7-5-6-8-20(18)31-4/h5-8,15-17,19H,9-14,24H2,1-4H3,(H,25,28)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,18,30,25,26,24,27,10,12,9,13,4,22,2,17,11,23,5,28,19,14,6,31,21,16,8,20,15,7,29/E:(1,2)(9,10)(11,12)/rA:31cCCCCCCONCCCCCCONCCCONCCCCCCCOCN/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;s17;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s29;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N4O4 |
All Atoms: | 67 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.3307 |
Area: | 704.5 |
Solvation: | -5.28185 |
Coulombic: | -78.7392 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 432.556 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 1.74 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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