Chemical ID: 7022674

CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCCC)CCN(C)C)O
Chemical ID:
7022674
Name [?]:
4-(4-butoxy-3-methyl-benzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCCC)CCN(C)C)O
InChi [?]:
InChI=1/C29H38N2O5/c1-6-8-18-36-24-14-11-22(19-20(24)3)27(32)25-26(21-9-12-23(13-10-21)35-17-7-2)31(16-15-30(4)5)29(34)28(25)33/h9-14,19,26,33H,6-8,15-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,30,12,34,35,2,29,3,22,26,8,23,25,7,32,31,28,4,10,11,21,9,24,6,15,20,13,16,17,33,19,14,36,18,27,5/E:(4,5)(9,10)(12,13)/rA:36cCCCCOCCCCCCCCOCCCONCCCCCCCOCCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;d13;s13;d15;s16;d17;s17;s15s19;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s29;s19;s31;s32;s33;s33;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O5
All Atoms:74
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.4766
Area:804.176
Solvation:-6.62777
Coulombic:-63.6722
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:494.622
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.24
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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