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Chemical ID: 5255215
Chemical ID:
5255215
Name [?]:
[1-(diethylcarbamoyloxymethyl)cyclopentyl]methyl diethylaminoformate
SMILES [?]:
CCN(CC)C(=O)OCC1(CCCC1)COC(=O)N(CC)CC
InChi [?]:
InChI=1/C17H32N2O4/c1-5-18(6-2)15(20)22-13-17(11-9-10-12-17)14-23-16(21)19(7-3)8-4/h5-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,21,23,2,4,20,22,12,13,11,14,9,15,6,17,10,3,19,7,18,8,16/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)(22,23)/rA:23nCCNCCCOOCCCCCCCOCONCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s12;s10s13;s10;s15;s16;d17;s17;s19;s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0839 |
Area: | 569.533 |
Solvation: | -2.15441 |
Coulombic: | -60.0614 |
Bond Count [?]
All: | 23 |
Single: | 21 |
Double: | 2 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 328.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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