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Chemical ID: 6032359
Chemical ID:
6032359
Name [?]:
ethyl 1-[3-[cyclopropyl-[(2,5-dimethyl-3-furyl)carbonyl]amino]propanoyl]piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)CCN(C2CC2)C(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C21H30N2O5/c1-4-27-21(26)16-7-10-22(11-8-16)19(24)9-12-23(17-5-6-17)20(25)18-13-14(2)28-15(18)3/h13,16-17H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,2,18,19,7,11,14,8,10,15,23,24,26,6,17,22,12,20,4,9,16,13,21,5,3,25/E:(5,6)(7,8)(10,11)/rA:28nCCOCOCCCNCCCOCCNCCCCOCCCOCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s15;s16;s17;s17s18;s16;d20;s20;s22;d23;s24;d22s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9781 |
Area: | 614.845 |
Solvation: | -4.39303 |
Coulombic: | -55.9116 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 390.473 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.32 |
LogP (Chemaxon): | 0.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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