Chemical ID: 7430185

COc1cc(ccc1OCC(=O)Nc2ccc3ccccc3c2)C=O
Chemical ID:
7430185
Name [?]:
2-(4-formyl-2-methoxy-phenoxy)-N-(2-naphthyl)acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc3ccccc3c2)C=O
InChi [?]:
InChI=1/C20H17NO4/c1-24-19-10-14(12-22)6-9-18(19)25-13-20(23)21-17-8-7-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,6,16,15,7,4,23,24,10,5,17,22,14,8,3,11,13,25,12,2,9/rA:25nCOCCCCCCOCCONCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s5;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO4
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:5.84962
Area:556.421
Solvation:-8.06091
Coulombic:-41.5315
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.353
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.28
LogP (Chemaxon):3.3

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