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Chemical ID: 6036904
Chemical ID:
6036904
Name [?]:
N-cyclopropyl-N-[2-(3-methoxypropylcarbamoyl)ethyl]-2-methyl-furan-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)N(CCC(=O)NCCCOC)C2CC2
InChi [?]:
InChI=1/C16H24N2O4/c1-12-14(7-11-22-12)16(20)18(13-4-5-13)9-6-15(19)17-8-3-10-21-2/h7,11,13H,3-6,8-10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,19,16,21,22,11,4,15,10,17,5,2,20,3,12,7,14,9,13,8,18,6/E:(4,5)/rA:22nCCCCCOCONCCCONCCCOCCCC/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s9;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.5031 |
Area: | 536.488 |
Solvation: | -4.9091 |
Coulombic: | -50.1709 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 308.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.45 |
LogP (Chemaxon): | -0.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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