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Chemical ID: 6032124
Chemical ID:
6032124
Name [?]:
N-isopropyl-N-[2-(propylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCCNC(=O)CCN(C(C)C)C(=O)c1ccoc1
InChi [?]:
InChI=1/C14H22N2O3/c1-4-7-15-13(17)5-8-16(11(2)3)14(18)12-6-9-19-10-12/h6,9-11H,4-5,7-8H2,1-3H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,7,16,3,8,17,19,10,15,5,13,4,9,6,14,18/E:(2,3)/rA:19nCCCNCOCCNCCCCOCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s10;s9;d13;s13;s15;d16;s17;d15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.66125 |
Area: | 478.283 |
Solvation: | -3.29582 |
Coulombic: | -43.2346 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 266.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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