Chemical ID: 4427473

CCN(CC)CCOC(=O)c1ccc(cc1)C(C)(C)C
Chemical ID:
4427473
Name [?]:
2-diethylaminoethyl 4-tert-butylbenzoate
SMILES [?]:
CCN(CC)CCOC(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C17H27NO2/c1-6-18(7-2)12-13-20-16(19)14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,18,19,20,2,4,12,16,13,15,6,7,11,14,9,17,3,10,8/E:(1,2)(3,4,5)(6,7)(8,9)(10,11)/rA:20nCCNCCCCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.8179
Area:516.796
Solvation:-2.10197
Coulombic:-27.0177
Bond Count [?]
All:20
Single:16
Double:4
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):3.89

Name Annotations

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Descriptor Annotations

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