Chemical ID: 5891805

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)CCc3ccccc3
Chemical ID:
5891805
Name [?]:
5-(3-phenylpropanoylamino)-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)CCc3ccccc3
InChi [?]:
InChI=1/C25H33N3O2/c1-3-19(2)26-25(30)22-18-21(13-14-23(22)28-16-8-5-9-17-28)27-24(29)15-12-20-10-6-4-7-11-20/h4,6-7,10-11,13-14,18-19H,3,5,8-9,12,15-17H2,1-2H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,28,17,27,29,16,18,26,30,24,11,12,23,15,19,9,3,25,10,8,13,21,6,5,20,14,22,7/E:(6,7)(8,9)(10,11)(16,17)/rA:30cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H33N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.8573
Area:673.963
Solvation:-3.99184
Coulombic:-48.5497
Bond Count [?]
All:32
Single:24
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:407.549
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.69
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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