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Chemical ID: 6032257
Chemical ID:
6032257
Name [?]:
N-butyl-2,5-dimethyl-N-[2-(3-morpholinopropylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCCCN1CCOCC1)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C21H35N3O4/c1-4-5-10-24(21(26)19-16-17(2)28-18(19)3)11-7-20(25)22-8-6-9-23-12-14-27-15-13-23/h16H,4-15H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,28,27,2,3,12,7,11,13,4,6,15,19,16,18,23,24,26,22,8,20,10,14,5,9,21,17,25/E:(12,13)(14,15)/rA:28nCCCCNCCCONCCCNCCOCCCOCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s5;d20;s20;s22;d23;s24;d22s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H35N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6709 |
Area: | 678.164 |
Solvation: | -5.28318 |
Coulombic: | -56.1125 |
Bond Count [?]
All: | 29 |
Single: | 25 |
Double: | 4 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 393.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.14 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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