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Chemical ID: 6032164
Chemical ID:
6032164
Name [?]:
N-[2-(cyclopropylcarbamoyl)ethyl]-N-sec-butyl-furan-3-carboxamide
SMILES [?]:
CCC(C)N(CCC(=O)NC1CC1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C15H22N2O3/c1-3-11(2)17(15(19)12-7-9-20-10-12)8-6-14(18)16-13-4-5-13/h7,9-11,13H,3-6,8H2,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,13,7,17,6,18,20,3,16,11,8,14,10,5,9,15,19/E:(4,5)/rA:20cCCCCNCCCONCCCCOCCCOC/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s11s12;s5;d14;s14;s16;d17;s18;d16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.82189 |
Area: | 491.292 |
Solvation: | -3.4604 |
Coulombic: | -43.3826 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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