Chemical ID: 7200664

CCCCOc1ccc(cc1C)C(=O)C2C(N(C(=O)C2=O)CCOC)c3ccccc3
Chemical ID:
7200664
Name [?]:
4-(4-butoxy-3-methyl-benzoyl)-1-(2-methoxyethyl)-5-phenyl-pyrrolidine-2,3-dione
SMILES [?]:
CCCCOc1ccc(cc1C)C(=O)C2C(N(C(=O)C2=O)CCOC)c3ccccc3
InChi [?]:
InChI=1/C25H29NO5/c1-4-5-14-31-20-12-11-19(16-17(20)2)23(27)21-22(18-9-7-6-8-10-18)26(13-15-30-3)25(29)24(21)28/h6-12,16,21-22H,4-5,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,25,2,3,29,28,30,27,31,8,7,22,4,23,10,11,26,9,6,15,16,13,20,18,17,14,21,19,24,5/E:(7,8)(9,10)/rA:31cCCCCOCCCCCCCCOCCNCOCOCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;d13;s13;s15;s16;s17;d18;s15s18;d20;s17;s22;s23;s24;s16;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO5
All Atoms:60
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:10.2115
Area:681.354
Solvation:-6.82238
Coulombic:-49.7826
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.501
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.31
LogP (Chemaxon):4.25

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Experimental Annotations

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Descriptor Annotations

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