Chemical ID: 3944478

CCc1ccc(cc1)N(C(c2ccccc2)C(=O)NC(C)(C)C)C(=O)c3ccco3
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

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Descriptor Annotations

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