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Chemical ID: 6036878
Chemical ID:
6036878
Name [?]:
N-cyclopropyl-N-[2-(isopropylcarbamoyl)ethyl]-2-methyl-furan-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)N(CCC(=O)NC(C)C)C2CC2
InChi [?]:
InChI=1/C15H22N2O3/c1-10(2)16-14(18)6-8-17(12-4-5-12)15(19)13-7-9-20-11(13)3/h7,9-10,12H,4-6,8H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:16,17,1,19,20,11,4,10,5,15,2,18,3,12,7,14,9,13,8,6/E:(1,2)(4,5)/rA:20nCCCCCOCONCCCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s15;s9;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.79047 |
Area: | 478.738 |
Solvation: | -3.17797 |
Coulombic: | -42.9512 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.17 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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