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Chemical ID: 6036804
Chemical ID:
6036804
Name [?]:
N-[2-(cyclopropylcarbamoyl)ethyl]-N-isopentyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(C)C)CCC(=O)NC2CC2
InChi [?]:
InChI=1/C18H28N2O3/c1-12(2)7-9-20(10-8-17(21)19-15-5-6-15)18(22)16-11-13(3)23-14(16)4/h11-12,15H,5-10H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:14,15,1,7,22,23,12,17,11,16,3,13,2,5,21,4,18,8,20,10,19,9,6/E:(1,2)(5,6)/rA:23nCCCCCOCCONCCCCCCCCONCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;s13;s13;s10;s16;s17;d18;s18;s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0917 |
Area: | 578.234 |
Solvation: | -3.36416 |
Coulombic: | -43.7339 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.38 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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