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Chemical ID: 6036987
Chemical ID:
6036987
Name [?]:
N-ethyl-2-methyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CC)C(=O)c1ccoc1C
InChi [?]:
InChI=1/C15H24N2O3/c1-5-11(3)16-14(18)7-9-17(6-2)15(19)13-8-10-20-12(13)4/h8,10-11H,5-7,9H2,1-4H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,12,4,20,2,11,8,16,9,17,3,19,15,6,13,5,10,7,14,18/rA:20cCCCCNCOCCNCCCOCCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s10;d13;s13;s15;d16;s17;d15s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.17012 |
Area: | 510.24 |
Solvation: | -3.58589 |
Coulombic: | -43.4157 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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