Chemical ID: 6599576

CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)C(=O)C
Chemical ID:
6599576
Name [?]:
(3-acetylphenyl)carbamoylmethyl 4-isopropylbenzoate
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)OCC(=O)Nc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C20H21NO4/c1-13(2)15-7-9-16(10-8-15)20(24)25-12-19(23)21-18-6-4-5-17(11-18)14(3)22/h4-11,13H,12H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,19,20,18,5,9,6,8,22,13,2,23,4,7,21,17,14,10,16,24,15,11,12/E:(1,2)(7,8)(9,10)/rA:25nCCCCCCCCCCOOCCONCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0861
Area:584.862
Solvation:-4.53551
Coulombic:-48.9218
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.385
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.94
LogP (Chemaxon):3.18

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