Chemical ID: 5255215

CCN(CC)C(=O)OCC1(CCCC1)COC(=O)N(CC)CC
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

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Descriptor Annotations

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