Chemical ID: 5869136

CCOc1cc(ccc1OC)C(=O)N2CCCC2
Chemical ID:
5869136
Name [?]:
(3-ethoxy-4-methoxy-phenyl)-pyrrolidin-1-yl-methanone
SMILES [?]:
CCOc1cc(ccc1OC)C(=O)N2CCCC2
InChi [?]:
InChI=1/C14H19NO3/c1-3-18-13-10-11(6-7-12(13)17-2)14(16)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,16,17,7,8,15,18,5,6,9,4,12,14,13,10,3/E:(4,5)(8,9)/rA:18nCCOCCCCCCOCCONCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;d12;s12;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.12193
Area:439.989
Solvation:-4.8778
Coulombic:-31.0155
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:249.306
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.06
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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