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Chemical ID: 6032186
Chemical ID:
6032186
Name [?]:
N-[2-[(4-diethylamino-1-methyl-butyl)carbamoyl]ethyl]-N-(2-furylmethyl)furan-3-carboxamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCN(Cc1ccco1)C(=O)c2ccoc2
InChi [?]:
InChI=1/C22H33N3O4/c1-4-24(5-2)12-6-8-18(3)23-21(26)10-13-25(16-20-9-7-14-29-20)22(27)19-11-15-28-17-19/h7,9,11,14-15,17-18H,4-6,8,10,12-13,16H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,10,2,4,7,20,8,19,14,26,6,15,21,27,17,29,9,25,18,12,23,11,3,16,13,24,28,22/E:(1,2)(4,5)/rA:29cCCNCCCCCCCNCOCCNCCCCCOCOCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;s18s21;s16;d23;s23;s25;d26;s27;d25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33N3O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9593 |
Area: | 682.402 |
Solvation: | -5.10073 |
Coulombic: | -55.0324 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 403.515 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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