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Chemical ID: 7266417
Chemical ID:
7266417
Name [?]:
N-benzyl-2-(1-piperidylcarbonylmethoxy)benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccccc2OCC(=O)N3CCCCC3
InChi [?]:
InChI=1/C21H24N2O3/c24-20(23-13-7-2-8-14-23)16-26-19-12-6-5-11-18(19)21(25)22-15-17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,13,14,23,25,3,5,12,15,22,26,7,18,4,11,16,19,9,8,21,20,10,17/E:(3,4)(7,8)(9,10)(13,14)/rA:26nCCCCCCCNCOCCCCCCOCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74402 |
Area: | 586.208 |
Solvation: | -5.91117 |
Coulombic: | -45.9459 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.427 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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