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Chemical ID: 6036930
Chemical ID:
6036930
Name [?]:
N-ethyl-N-[2-(3-morpholinopropylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCN(CCC(=O)NCCCN1CCOCC1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C17H27N3O4/c1-2-20(17(22)15-5-11-24-14-15)8-4-16(21)18-6-3-7-19-9-12-23-13-10-19/h5,11,14H,2-4,6-10,12-13H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,5,21,9,11,4,13,17,22,14,16,24,20,6,18,8,12,3,7,19,15,23/E:(9,10)(12,13)/rA:24nCCNCCCONCCCNCCOCCCOCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s3;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H27N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01412 |
Area: | 582.582 |
Solvation: | -5.55042 |
Coulombic: | -55.5214 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 337.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.26 |
LogP (Chemaxon): | -0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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