Chemical ID: 5932343

Cc1cccc(c1)CN(Cc2ccc(o2)C(=O)NCCc3ccccc3)C(C)C
Chemical ID:
5932343
Name [?]:
5-[(isopropyl-(m-tolylmethyl)amino)methyl]-N-phenethyl-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)CN(Cc2ccc(o2)C(=O)NCCc3ccccc3)C(C)C
InChi [?]:
InChI=1/C25H30N2O2/c1-19(2)27(17-22-11-7-8-20(3)16-22)18-23-12-13-24(29-23)25(28)26-15-14-21-9-5-4-6-10-21/h4-13,16,19H,14-15,17-18H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:28,29,1,24,23,25,4,3,22,26,5,12,13,20,19,7,8,10,27,2,21,6,11,14,16,18,9,17,15/E:(1,2)(5,6)(9,10)/rA:29cCCCCCCCCNCCCCCOCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s9;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.167
Area:659.365
Solvation:-3.31712
Coulombic:-38.7737
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:390.518
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):4.57

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Descriptor Annotations

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