Chemical ID: 5895222

CC(c1ccccc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4ccco4
Chemical ID:
5895222
Name [?]:
N-[3-(1-phenylethylcarbamoyl)-4-(1-piperidyl)phenyl]furan-2-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C25H27N3O3/c1-18(19-9-4-2-5-10-19)26-24(29)21-17-20(27-25(30)23-11-8-16-31-23)12-13-22(21)28-14-6-3-7-15-28/h2,4-5,8-13,16-18H,3,6-7,14-15H2,1H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,6,21,5,7,20,22,29,4,8,28,15,16,19,23,30,13,2,3,14,12,17,27,10,25,9,24,18,11,26,31/E:(4,5)(6,7)(9,10)(14,15)/rA:31cCCCCCCCCNCOCCCCCCNCCCCCNCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;s24;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.2655
Area:659.781
Solvation:-4.22901
Coulombic:-58.5461
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.5
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.41
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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