Chemical ID: 4829452

CCOc1ccccc1C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(c(c3)C)OC
Chemical ID:
4829452
Name [?]:
5-(2-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccccc1C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(c(c3)C)OC
InChi [?]:
InChI=1/C25H29NO6/c1-5-32-20-10-7-6-9-18(20)22-21(24(28)25(29)26(22)13-8-14-30-3)23(27)17-11-12-19(31-4)16(2)15-17/h6-7,9-12,15,22,28H,5,8,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,20,32,2,7,6,17,8,5,25,26,16,18,29,28,24,9,27,4,11,10,22,12,13,15,23,21,14,19,31,3/rA:32cCCOCCCCCCCCCCONCCCOCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s28;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.61526
Area:662.215
Solvation:-6.94011
Coulombic:-65.9867
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.85
LogP (Chemaxon):2.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue