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Chemical ID: 6032574
Chemical ID:
6032574
Name [?]:
2,5-dimethyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCNC(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C14H22N2O3/c1-5-9(2)16-13(17)6-7-15-14(18)12-8-10(3)19-11(12)4/h8-9H,5-7H2,1-4H3,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,19,18,2,8,9,14,3,15,17,13,6,11,10,5,7,12,16/rA:19cCCCCNCOCCNCOCCCOCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s11;s13;d14;s15;d13s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.85569 |
Area: | 502.11 |
Solvation: | -3.69707 |
Coulombic: | -47.1686 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 266.336 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.08 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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