Chemical ID: 4974538

CCN(CC)CCOc1ccc(cc1)C(=O)OCC
Chemical ID:
4974538
Name [?]:
ethyl 4-(2-diethylaminoethoxy)benzoate
SMILES [?]:
CCN(CC)CCOc1ccc(cc1)C(=O)OCC
InChi [?]:
InChI=1/C15H23NO3/c1-4-16(5-2)11-12-19-14-9-7-13(8-10-14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,19,2,4,18,11,13,10,14,6,7,12,9,15,3,16,17,8/E:(1,2)(4,5)(7,8)(9,10)/rA:19nCCNCCCCOCCCCCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.91649
Area:501.187
Solvation:-3.6132
Coulombic:-32.3574
Bond Count [?]
All:19
Single:15
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:265.348
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):2.35

Name Annotations

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Descriptor Annotations

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