Chemical ID: 4521458

COc1cc2ccccc2cc1C(=O)NCc3ccccc3
Chemical ID:
4521458
Name [?]:
N-benzyl-3-methoxy-naphthalene-2-carboxamide
SMILES [?]:
COc1cc2ccccc2cc1C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C19H17NO2/c1-22-18-12-16-10-6-5-9-15(16)11-17(18)19(21)20-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,8,7,18,22,9,6,11,4,16,17,10,5,12,3,13,15,14,2/E:(3,4)(7,8)/rA:22nCOCCCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.64898
Area:500.112
Solvation:-3.85381
Coulombic:-31.0436
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.344
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):3.47

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