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Chemical ID: 5845891
Chemical ID:
5845891
Name [?]:
4-morpholino-4-oxo-N,N-diphenyl-butanamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CCC(=O)N3CCOCC3
InChi [?]:
InChI=1/C20H22N2O3/c23-19(21-13-15-25-16-14-21)11-12-20(24)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10H,11-16H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,17,16,21,25,22,24,4,8,18,14,20,7,19,15,23/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)(15,16)(17,18)/rA:25nCCCCCCNCCCCCCCOCCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59737 |
Area: | 559.237 |
Solvation: | -4.38354 |
Coulombic: | -39.989 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 338.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.89 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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