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Chemical ID: 5891805
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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