Chemical ID: 7263590

CCOc1ccc(cc1)CN(C)C(=O)Cc2c[nH]c3c2cccc3
Chemical ID:
7263590
Name [?]:
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methyl-acetamide
SMILES [?]:
CCOc1ccc(cc1)CN(C)C(=O)Cc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C20H22N2O2/c1-3-24-17-10-8-15(9-11-17)14-22(2)20(23)12-16-13-21-19-7-5-4-6-18(16)19/h4-11,13,21H,3,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,22,23,21,24,6,8,5,9,15,17,10,7,16,4,20,19,13,18,11,14,3/E:(8,9)(10,11)/rA:24nCCOCCCCCCCNCCOCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O2
All Atoms:46
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.47817
Area:542.932
Solvation:-4.09512
Coulombic:-34.9613
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:322.401
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):3.57

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