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Chemical ID: 7200664
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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