Chemical ID: 4863276

CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)C
Chemical ID:
4863276
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C29H38N2O5/c1-6-18-36-23-15-14-22(19-24(23)35-5)26-25(27(32)21-12-10-20(4)11-13-21)28(33)29(34)31(26)17-9-16-30(7-2)8-3/h10-15,19,26,33H,6-9,16-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,26,36,12,2,23,25,20,32,34,31,35,7,6,21,19,3,9,33,30,8,5,10,14,13,28,15,16,22,18,29,27,17,11,4/E:(2,3)(7,8)(10,11)(12,13)/rA:36cCCCOCCCCCCOCCCCCONCCCNCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s22;s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.4606
Area:796.41
Solvation:-7.44961
Coulombic:-62.9012
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:494.622
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.04
LogP (Chemaxon):0.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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