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Chemical ID: 6032096
Chemical ID:
6032096
Name [?]:
N-butyl-N-[2-(propylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCCC)C(=O)c1ccoc1
InChi [?]:
InChI=1/C15H24N2O3/c1-3-5-9-17(10-6-14(18)16-8-4-2)15(19)13-7-11-20-12-13/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,13,2,12,3,7,17,11,4,6,18,20,16,8,14,10,5,9,15,19/rA:20nCCCCNCCCONCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s5;d14;s14;s16;d17;s18;d16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51046 |
Area: | 520.003 |
Solvation: | -3.48963 |
Coulombic: | -44.0027 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.64 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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