Chemical ID: 7015021

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OCCC
Chemical ID:
7015021
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-pentoxyphenyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OCCC
InChi [?]:
InChI=1/C30H40N2O5/c1-5-7-8-20-37-24-15-13-22(14-16-24)27-26(29(34)30(35)32(27)18-10-17-31(3)4)28(33)23-11-9-12-25(21-23)36-19-6-2/h9,11-16,21,27,34H,5-8,10,17-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,23,24,2,36,3,4,30,20,29,31,9,11,8,12,21,19,35,5,33,10,28,7,32,14,13,26,15,16,22,18,27,25,17,34,6/E:(3,4)(13,14)(15,16)/rA:37cCCCCCOCCCCCCCCCCONCCCNCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s22;s15;s14;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O5
All Atoms:77
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.2409
Area:839.037
Solvation:-6.735
Coulombic:-63.9546
Bond Count [?]
All:39
Single:30
Double:9
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:508.649
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.94
LogP (Chemaxon):1.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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