Chemical ID: 3982591

Cc1c(cc(n1CCc2ccc(cc2)OC)c3ccc4ccccc4c3)C(=O)N
Chemical ID:
3982591
Name [?]:
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-naphthyl)pyrrole-3-carboxamide
SMILES [?]:
Cc1c(cc(n1CCc2ccc(cc2)OC)c3ccc4ccccc4c3)C(=O)N
InChi [?]:
InChI=1/C25H24N2O2/c1-17-23(25(26)28)16-24(21-10-9-19-5-3-4-6-20(19)15-21)27(17)14-13-18-7-11-22(29-2)12-8-18/h3-12,15-16H,13-14H2,1-2H3,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,22,23,21,24,10,14,19,18,11,13,8,7,26,4,2,9,20,25,17,12,3,5,27,29,6,28,15/E:(7,8)(11,12)/rA:29nCCCCCNCCCCCCCCOCCCCCCCCCCCCON/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s5;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;s3;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H24N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.08
Area:602.224
Solvation:-3.97564
Coulombic:-41.656
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.47
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.17
LogP (Chemaxon):4.19

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