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Chemical ID: 6036794
Chemical ID:
6036794
Name [?]:
N-[2-(butylcarbamoyl)ethyl]-N-isopentyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
CCCCNC(=O)CCN(CCC(C)C)C(=O)c1cc(oc1C)C
InChi [?]:
InChI=1/C19H32N2O3/c1-6-7-10-20-18(22)9-12-21(11-8-14(2)3)19(23)17-13-15(4)24-16(17)5/h13-14H,6-12H2,1-5H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,14,15,24,23,2,3,12,8,4,11,9,19,13,20,22,18,6,16,5,10,7,17,21/E:(2,3)/rA:24nCCCCNCOCCNCCCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;s13;s10;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: | 11.692 |
Area: | 595.726 |
Solvation: | -3.20115 |
Coulombic: | -44.4418 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 336.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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