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Chemical ID: 6032702
Chemical ID:
6032702
Name [?]:
N-[2-(cyclohexylcarbamoyl)ethyl]-N-pentyl-furan-3-carboxamide
SMILES [?]:
CCCCCN(CCC(=O)NC1CCCCC1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C19H30N2O3/c1-2-3-7-12-21(19(23)16-11-14-24-15-16)13-10-18(22)20-17-8-5-4-6-9-17/h11,14-15,17H,2-10,12-13H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,15,14,16,4,13,17,8,21,5,7,22,24,20,12,9,18,11,6,10,19,23/E:(5,6)(8,9)/rA:24nCCCCCNCCCONCCCCCCCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s6;d18;s18;s20;d21;s22;d20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H30N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1428 |
Area: | 585.509 |
Solvation: | -3.49495 |
Coulombic: | -44.7475 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 334.453 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.25 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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