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Chemical ID: 3944488
Chemical ID:
3944488
Name [?]:
N-[phenyl-(tert-butylcarbamoyl)methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(C(c2ccccc2)C(=O)NC(C)(C)C)C(=O)c3ccco3
InChi [?]:
InChI=1/C24H26N2O3/c1-17-12-14-19(15-13-17)26(23(28)20-11-8-16-29-20)21(18-9-6-5-7-10-18)22(27)25-24(2,3)4/h5-16,21H,1-4H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,13,12,14,27,11,15,26,3,7,4,6,28,2,10,5,25,9,16,23,19,18,8,17,24,29/E:(2,3,4)(6,7)(9,10)(12,13)(14,15)/rA:29cCCCCCCCNCCCCCCCCONCCCCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s9;d16;s16;s18;s19;s19;s19;s8;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0897 |
Area: | 568.282 |
Solvation: | -3.11732 |
Coulombic: | -50.1652 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.475 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.32 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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