Chemical ID: 4836407

Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OC
Chemical ID:
4836407
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(3-methoxybenzoyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C24H28N2O4/c1-16-9-11-17(12-10-16)21-20(22(27)18-7-5-8-19(15-18)30-4)23(28)24(29)26(21)14-6-13-25(2)3/h5,7-12,15,21,28H,6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,30,25,15,24,26,3,7,4,6,16,14,28,2,5,23,27,9,8,21,10,11,17,13,22,20,12,29/E:(2,3)(9,10)(11,12)/rA:30cCCCCCCCCCCCONCCCNCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s17;s10;s9;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.0376
Area:662.317
Solvation:-5.5203
Coulombic:-55.5857
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.76
LogP (Chemaxon):-0.35

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Descriptor Annotations

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