Chemical ID: 7187900

CC(C)(C)c1ccc(cc1)C2C(C(=O)C(=O)N2CCOC)C(=O)c3ccc(cc3)OC
Chemical ID:
7187900
Name [?]:
4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2C(C(=O)C(=O)N2CCOC)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C25H29NO5/c1-25(2,3)18-10-6-16(7-11-18)21-20(23(28)24(29)26(21)14-15-30-4)22(27)17-8-12-19(31-5)13-9-17/h6-13,20-21H,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,31,7,9,25,29,6,10,26,28,18,19,8,24,5,27,12,11,22,13,15,2,17,23,14,16,20,30/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCCCCCCCCCCOCONCCOCCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;d15;s11s15;s17;s18;s19;s20;s12;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO5
All Atoms:60
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:7.71252
Area:626.071
Solvation:-7.93926
Coulombic:-48.4239
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.501
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.55
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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