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Chemical ID: 5976166
Chemical ID:
5976166
Name [?]:
N-[3-(diethylcarbamoyl)-4-dimethylamino-phenyl]naphthalene-1-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1cc(ccc1N(C)C)NC(=O)c2cccc3c2cccc3
InChi [?]:
InChI=1/C24H27N3O2/c1-5-27(6-2)24(29)21-16-18(14-15-22(21)26(3)4)25-23(28)20-13-9-11-17-10-7-8-12-19(17)20/h7-16H,5-6H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,15,16,2,4,28,27,22,29,23,26,21,11,12,9,24,10,25,20,8,13,18,6,17,14,3,19,7/E:(1,2)(3,4)(5,6)/rA:29nCCNCCCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s14;s10;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d26;s27;s24d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4676 |
Area: | 611.541 |
Solvation: | -3.82093 |
Coulombic: | -46.4444 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 389.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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