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Chemical ID: 6032753
Chemical ID:
6032753
Name [?]:
N-[2-(butylcarbamoyl)ethyl]-2,5-dimethyl-N-pentyl-furan-3-carboxamide
SMILES [?]:
CCCCCN(CCC(=O)NCCCC)C(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C19H32N2O3/c1-5-7-9-12-21(13-10-18(22)20-11-8-6-2)19(23)17-14-15(3)24-16(17)4/h14H,5-13H2,1-4H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,24,23,2,14,3,13,4,8,12,5,7,19,20,22,18,9,16,11,6,10,17,21/rA:24nCCCCCNCCCONCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s6;d16;s16;s18;d19;s20;d18s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H32N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1851 |
Area: | 621.986 |
Solvation: | -3.36453 |
Coulombic: | -44.6222 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 336.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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