Chemical ID: 4829081

CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)C
Chemical ID:
4829081
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C24H27NO5/c1-4-30-19-12-10-17(11-13-19)21-20(22(26)18-8-6-16(2)7-9-18)23(27)24(28)25(21)14-5-15-29-3/h6-13,21,27H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,20,2,17,26,28,25,29,6,8,5,9,16,18,27,7,24,4,11,10,22,12,13,15,23,21,14,19,3/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCCCCCONCCCOCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.206
Area:670.077
Solvation:-6.54595
Coulombic:-58.6212
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:409.475
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.14
LogP (Chemaxon):2.67

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Experimental Annotations

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Descriptor Annotations

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