Chemical ID: 6834351

Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccccc2C(=O)[O-]
Chemical ID:
6834351
Name [?]:
2-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C19H21NO4/c1-12(2)15-9-8-14(10-13(15)3)24-11-18(21)20-17-7-5-4-6-16(17)19(22)23/h4-10,12H,11H2,1-3H3,(H,20,21)(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:9,10,1,19,18,20,17,5,6,3,12,8,2,4,7,21,16,13,22,15,14,23,24,11/E:(1,2)(22,23)/rA:24nCCCCCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20NO4-
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-28.5729
Area:548.75
Solvation:-42.2917
Coulombic:-32.8247
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:326.366
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.29
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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