Chemical ID: 7018849

CCc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cc(ccc3C)C
Chemical ID:
7018849
Name [?]:
1-(2-dimethylaminoethyl)-4-(2,5-dimethylbenzoyl)-5-(4-ethylphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCc1ccc(cc1)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C25H30N2O3/c1-6-18-9-11-19(12-10-18)22-21(23(28)20-15-16(2)7-8-17(20)3)24(29)25(30)27(22)14-13-26(4)5/h7-12,15,22,29H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,30,29,18,19,2,26,27,4,8,5,7,16,15,24,25,28,3,6,23,10,9,21,11,12,17,14,22,20,13/E:(4,5)(9,10)(11,12)/rA:30cCCCCCCCCCCCCONCCNCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;s17;s17;s11;s10;d21;s21;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O3
All Atoms:60
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.3729
Area:622.447
Solvation:-4.18824
Coulombic:-49.4594
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:406.517
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.83
LogP (Chemaxon):1.69

Name Annotations

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Descriptor Annotations

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