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Chemical ID: 6033197
Chemical ID:
6033197
Name [?]:
2,5-dimethyl-N-[2-(1-phenylethylcarbamoyl)ethyl]-N-(tetrahydrofuran-2-ylmethyl)furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NC(C)c2ccccc2)CC3CCCO3
InChi [?]:
InChI=1/C23H30N2O4/c1-16-14-21(18(3)29-16)23(27)25(15-20-10-7-13-28-20)12-11-22(26)24-17(2)19-8-5-4-6-9-19/h4-6,8-9,14,17,20H,7,10-13,15H2,1-3H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,17,7,21,20,22,27,19,23,26,12,11,28,3,24,2,16,5,18,25,4,13,8,15,10,14,9,29,6/E:(5,6)(8,9)/rA:29cCCCCCOCCONCCCONCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;s10;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.9383 |
Area: | 659.161 |
Solvation: | -5.5407 |
Coulombic: | -51.8372 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 398.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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