Chemical ID: 3966981

CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2
Chemical ID:
3966981
Name [?]:
2-pyridylmethyl 2-(4-isobutylphenyl)propanoate
SMILES [?]:
CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2
InChi [?]:
InChI=1/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,12,19,20,18,6,10,7,9,21,4,16,2,11,5,8,17,13,22,14,15/E:(1,2)(7,8)(9,10)/rA:22cCCCCCCCCCCCCCOOCCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s11;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.9991
Area:531.35
Solvation:-2.28466
Coulombic:-26.8308
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.391
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.51
LogP (Chemaxon):4.48

Name Annotations

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Descriptor Annotations

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