Chemical ID: 4170599

Cc1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
Chemical ID:
4170599
Name [?]:
3-methoxy-N-(p-tolyl)naphthalene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc3ccccc3cc2OC
InChi [?]:
InChI=1/C19H17NO2/c1-13-7-9-16(10-8-13)20-19(21)17-11-14-5-3-4-6-15(14)12-18(17)22-2/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,15,16,14,17,3,7,4,6,12,19,2,13,18,5,11,20,9,8,10,21/E:(7,8)(9,10)/rA:22nCCCCCCCNCOCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.27383
Area:489.482
Solvation:-3.96321
Coulombic:-29.4652
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):4.32

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