Chemical ID: 6016291

Cc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccccc3)Cc4ccco4
Chemical ID:
6016291
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-4-methyl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccccc3)Cc4ccco4
InChi [?]:
InChI=1/C27H30N2O4/c1-21-11-13-23(14-12-21)27(31)29(19-25-10-6-16-33-25)20-26(30)28(18-24-9-5-15-32-24)17-22-7-3-2-4-8-22/h2-5,7-9,11-15,25H,6,10,16-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,31,14,23,27,30,13,3,7,4,6,32,15,21,28,11,17,2,22,5,29,12,18,8,20,10,19,9,33,16/E:(3,4)(7,8)(11,12)(13,14)/rA:33cCCCCCCCCONCCCCCOCCONCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s12s15;s10;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.0891
Area:644.782
Solvation:-5.03047
Coulombic:-51.2497
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:446.538
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):3.56

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Experimental Annotations

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Descriptor Annotations

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