Chemical ID: 4603961

CCN(CC)CC(COCc1ccccc1)OC(=O)C
Chemical ID:
4603961
Name [?]:
[1-(benzyloxymethyl)-2-diethylamino-ethyl] acetate
SMILES [?]:
CCN(CC)CC(COCc1ccccc1)OC(=O)C
InChi [?]:
InChI=1/C16H25NO3/c1-4-17(5-2)11-16(20-14(3)18)13-19-12-15-9-7-6-8-10-15/h6-10,16H,4-5,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,20,2,4,14,13,15,12,16,6,10,8,18,11,7,3,19,9,17/E:(1,2)(4,5)(7,8)(9,10)/rA:20cCCNCCCCCOCCCCCCCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s7;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.29149
Area:512.346
Solvation:-4.51716
Coulombic:-31.6389
Bond Count [?]
All:20
Single:16
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:279.375
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.5
LogP (Chemaxon):2.21

Name Annotations

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Descriptor Annotations

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