Chemical ID: 4860200

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)C
Chemical ID:
4860200
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-4-(4-methylbenzoyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(CC)CC)O)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C28H36N2O4/c1-5-19-34-23-15-13-21(14-16-23)25-24(26(31)22-11-9-20(4)10-12-22)27(32)28(33)30(25)18-8-17-29(6-2)7-3/h9-16,25,32H,5-8,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,24,34,2,21,23,18,30,32,29,33,7,9,6,10,19,17,3,31,8,28,5,12,11,26,13,14,20,16,27,25,15,4/E:(2,3)(6,7)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCOCCCCCCCCCCONCCCNCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s20;s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.7405
Area:766.066
Solvation:-5.41112
Coulombic:-56.747
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:464.597
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.39
LogP (Chemaxon):1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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