Chemical ID: 5895245

CC(c1ccccc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)C4CCCC4
Chemical ID:
5895245
Name [?]:
5-cyclopentylcarbonylamino-N-(1-phenylethyl)-2-(1-piperidyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)C4CCCC4
InChi [?]:
InChI=1/C26H33N3O2/c1-19(20-10-4-2-5-11-20)27-26(31)23-18-22(28-25(30)21-12-6-7-13-21)14-15-24(23)29-16-8-3-9-17-29/h2,4-5,10-11,14-15,18-19,21H,3,6-9,12-13,16-17H2,1H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,6,21,5,7,29,30,20,22,4,8,28,31,15,16,19,23,13,2,3,27,14,12,17,25,10,9,24,18,26,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)/rA:31cCCCCCCCCNCOCCCCCCNCCCCCNCOCCCCC/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;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.8207
Area:668.94
Solvation:-3.90283
Coulombic:-49.2627
Bond Count [?]
All:34
Single:26
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.559
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.33
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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