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Chemical ID: 5171639
Chemical ID:
5171639
Name [?]:
N-(2-morpholinophenyl)naphthalene-2-carboxamide
SMILES [?]:
c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3N4CCOCC4
InChi [?]:
InChI=1/C21H20N2O2/c24-21(18-10-9-16-5-1-2-6-17(16)15-18)22-19-7-3-4-8-20(19)23-11-13-25-14-12-23/h1-10,15H,11-14H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,10,3,15,18,8,7,21,25,22,24,5,9,4,6,14,19,11,13,20,12,23/E:(11,12)(13,14)/rA:25nCCCCCCCCCCCONCCCCCCNCCOCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91511 |
Area: | 535.265 |
Solvation: | -3.46652 |
Coulombic: | -38.9167 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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