Chemical ID: 5933546

CCCCCNC(=O)c1ccc(o1)CN(Cc2ccccc2)Cc3cccc(c3)OC
Chemical ID:
5933546
Name [?]:
5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-pentyl-furan-2-carboxamide
SMILES [?]:
CCCCCNC(=O)c1ccc(o1)CN(Cc2ccccc2)Cc3cccc(c3)OC
InChi [?]:
InChI=1/C26H32N2O3/c1-3-4-8-16-27-26(29)25-15-14-24(31-25)20-28(18-21-10-6-5-7-11-21)19-22-12-9-13-23(17-22)30-2/h5-7,9-15,17H,3-4,8,16,18-20H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,20,19,21,4,26,18,22,25,27,11,10,5,29,16,23,14,17,24,28,12,9,7,6,15,8,30,13/E:(6,7)(10,11)/rA:31cCCCCCNCOCCCCOCNCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.2461
Area:717.441
Solvation:-4.68993
Coulombic:-46.0694
Bond Count [?]
All:33
Single:24
Double:9
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:420.544
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.14
LogP (Chemaxon):4.45

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Descriptor Annotations

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