Chemical ID: 4858604

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cc(ccc3OC)OC
Chemical ID:
4858604
Name [?]:
5-(2,5-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C25H30N2O6/c1-26(2)13-6-14-27-22(19-15-18(32-4)11-12-20(19)33-5)21(24(29)25(27)30)23(28)16-7-9-17(31-3)10-8-16/h7-12,15,22,29H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,23,33,31,5,17,21,18,20,27,28,4,6,25,16,19,26,24,29,9,8,14,10,11,2,7,15,13,12,22,32,30/E:(1,2)(7,8)(9,10)/rA:33cCNCCCCNCCCCOOCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s8;s24;d25;s26;d27;d24s28;s29;s30;s26;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:8.73033
Area:665.479
Solvation:-7.90664
Coulombic:-67.9754
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:454.516
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.15
LogP (Chemaxon):-1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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