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Chemical ID: 4521458
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
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Experimental Annotations
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Descriptor Annotations
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