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Chemical ID: 6032742
Chemical ID:
6032742
Name [?]:
N-[2-(cyclopropylcarbamoyl)ethyl]-2,5-dimethyl-N-pentyl-furan-3-carboxamide
SMILES [?]:
CCCCCN(CCC(=O)NC1CC1)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C18H28N2O3/c1-4-5-6-10-20(11-9-17(21)19-15-7-8-15)18(22)16-12-13(2)23-14(16)3/h12,15H,4-11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,3,4,13,14,8,5,7,18,19,21,12,17,9,15,11,6,10,16,20/E:(7,8)/rA:23nCCCCCNCCCONCCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s12s13;s6;d15;s15;s17;d18;s19;d17s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2417 |
Area: | 584.628 |
Solvation: | -3.37399 |
Coulombic: | -43.7461 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 320.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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