Chemical ID: 4631046

Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccco3
Chemical ID:
4631046
Name [?]:
1-(3-dimethylaminopropyl)-4-(2-furylcarbonyl)-3-hydroxy-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccco3
InChi [?]:
InChI=1/C21H24N2O4/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,25,15,24,3,7,4,6,16,14,26,2,5,23,9,8,21,10,11,17,13,22,20,12,27/E:(2,3)(7,8)(9,10)/rA:27cCCCCCCCCCCCONCCCNCCOCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;s16;s17;s17;s10;s9;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.0734
Area:607.953
Solvation:-4.12545
Coulombic:-56.4716
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.426
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.55
LogP (Chemaxon):-1.24

Name Annotations

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Descriptor Annotations

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