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Chemical ID: 6032482
Chemical ID:
6032482
Name [?]:
N-[2-(isopropylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)NC(=O)CCNC(=O)c1ccoc1
InChi [?]:
InChI=1/C11H16N2O3/c1-8(2)13-10(14)3-5-12-11(15)9-4-6-16-7-9/h4,6-8H,3,5H2,1-2H3,(H,12,15)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,13,8,14,16,2,12,5,10,9,4,6,11,15/E:(1,2)/rA:16nCCCNCOCCNCOCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.04005 |
Area: | 437.715 |
Solvation: | -3.90282 |
Coulombic: | -46.9206 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 224.256 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.25 |
LogP (Chemaxon): | -0.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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