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Chemical ID: 4478693
Chemical ID:
4478693
Name [?]:
N-[3-[3-(2-furylcarbonylamino)propyl-methyl-amino]propyl]furan-2-carboxamide
SMILES [?]:
CN(CCCNC(=O)c1ccco1)CCCNC(=O)c2ccco2
InChi [?]:
InChI=1/C17H23N3O4/c1-20(10-4-8-18-16(21)14-6-2-12-23-14)11-5-9-19-17(22)15-7-3-13-24-15/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,11,22,4,15,10,21,5,16,3,14,12,23,9,20,7,18,6,17,2,8,19,13,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)(23,24)/gE:(1,2)/rA:24nCNCCCNCOCCCCOCCCNCOCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s2;s14;s15;s16;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9806 |
Area: | 605.936 |
Solvation: | -4.16777 |
Coulombic: | -65.1907 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 333.382 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.61 |
LogP (Chemaxon): | -0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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