Chemical ID: 7015516

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cccc(c3)OCCCC
Chemical ID:
7015516
Name [?]:
4-(3-butoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cccc(c3)OCCCC
InChi [?]:
InChI=1/C30H40N2O5/c1-5-7-9-20-36-24-15-13-22(14-16-24)27-26(29(34)30(35)32(27)18-17-31(3)4)28(33)23-11-10-12-25(21-23)37-19-8-6-2/h10-16,21,27,34H,5-9,17-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,22,23,2,36,3,35,4,29,28,30,9,11,8,12,20,19,34,5,32,10,27,7,31,14,13,25,15,16,21,18,26,24,17,6,33/E:(3,4)(13,14)(15,16)/rA:37cCCCCCOCCCCCCCCCCONCCNCCOCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s21;s15;s14;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O5
All Atoms:77
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:14.2414
Area:837.28
Solvation:-6.69065
Coulombic:-64.3425
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:6.15
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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