Chemical ID: 5891981

CCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCC)N3CCCCC3
Chemical ID:
5891981
Name [?]:
5-(4-butoxybenzoyl)amino-2-(1-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCC)N3CCCCC3
InChi [?]:
InChI=1/C26H35N3O3/c1-3-5-18-32-22-12-9-20(10-13-22)25(30)28-21-11-14-24(29-16-7-6-8-17-29)23(19-21)26(31)27-15-4-2/h9-14,19H,3-8,15-18H2,1-2H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,26,2,25,3,30,29,31,8,10,16,7,11,17,24,28,32,4,20,9,15,6,19,18,12,21,23,14,27,13,22,5/E:(7,8)(9,10)(12,13)(16,17)/rA:32nCCCCOCCCCCCCONCCCCCCCONCCCNCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s23;s24;s25;s18;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H35N3O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.2736
Area:726.326
Solvation:-4.88459
Coulombic:-57.0366
Bond Count [?]
All:34
Single:26
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:437.575
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.52
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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