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Chemical ID: 6032675
Chemical ID:
6032675
Name [?]:
N-hexyl-N-[2-(isopentylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCCCCCN(CCC(=O)NCCC(C)C)C(=O)c1ccoc1
InChi [?]:
InChI=1/C19H32N2O3/c1-4-5-6-7-12-21(19(23)17-10-14-24-15-17)13-9-18(22)20-11-8-16(2)3/h10,14-16H,4-9,11-13H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,3,4,5,14,9,21,13,6,8,22,24,15,20,10,18,12,7,11,19,23/E:(2,3)/rA:24nCCCCCCNCCCONCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s15;s7;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.987 |
Area: | 619.643 |
Solvation: | -3.50411 |
Coulombic: | -45.1896 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 336.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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