Chemical ID: 6014502

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C=Cc3ccccc3
Chemical ID:
6014502
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C28H32N2O3/c1-22(2)18-29(27(31)17-15-24-10-6-4-7-11-24)21-28(32)30(19-25-12-8-5-9-13-25)20-26-16-14-23(3)33-26/h4-17,22H,18-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,31,13,30,32,12,14,29,33,11,15,3,27,4,26,20,9,7,18,21,2,28,10,5,24,16,19,8,25,17,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:33nCCCCCOCNCCCCCCCCOCNCCCCCOCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;w26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H32N2O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.6783
Area:693.645
Solvation:-4.66286
Coulombic:-43.267
Bond Count [?]
All:35
Single:24
Double:11
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:444.565
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):4.68

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