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Chemical ID: 3944478
Chemical ID:
3944478
Name [?]:
N-(4-ethylphenyl)-N-[phenyl-(tert-butylcarbamoyl)methyl]-furan-2-carboxamide
SMILES [?]:
CCc1ccc(cc1)N(C(c2ccccc2)C(=O)NC(C)(C)C)C(=O)c3ccco3
InChi [?]:
InChI=1/C25H28N2O3/c1-5-18-13-15-20(16-14-18)27(24(29)21-12-9-17-30-21)22(19-10-7-6-8-11-19)23(28)26-25(2,3)4/h6-17,22H,5H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,2,14,13,15,28,12,16,27,4,8,5,7,29,3,11,6,26,10,17,24,20,19,9,18,25,30/E:(2,3,4)(7,8)(10,11)(13,14)(15,16)/rA:30cCCCCCCCCNCCCCCCCCONCCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;s19;s20;s20;s20;s9;d24;s24;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7026 |
Area: | 592.972 |
Solvation: | -3.12174 |
Coulombic: | -50.5205 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 404.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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