Chemical ID: 7069677

CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)O
Chemical ID:
7069677
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-hydroxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)O
InChi [?]:
InChI=1/C23H24N2O4/c1-24(2)14-15-25-21(17-9-11-18(26)12-10-17)20(22(28)23(25)29)19(27)13-8-16-6-4-3-5-7-16/h3-13,21,26,28H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,16,24,28,25,27,15,4,5,17,23,26,13,8,7,9,10,2,6,29,14,12,11/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:29cCNCCCNCCCCOOCOCCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s7;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O4
All Atoms:53
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.76087
Area:613.365
Solvation:-5.57324
Coulombic:-64.4997
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:392.448
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.92
LogP (Chemaxon):0.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue