Chemical ID: 5878615

c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=O)C4CCCCC4
Chemical ID:
5878615
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-N-benzyl-cyclohexanecarboxamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=O)C4CCCCC4
InChi [?]:
InChI=1/C22H25NO3/c24-22(19-9-5-2-6-10-19)23(14-17-7-3-1-4-8-17)15-18-11-12-20-21(13-18)26-16-25-20/h1,3-4,7-8,11-13,19H,2,5-6,9-10,14-16H2
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,3,5,22,26,11,12,15,7,9,17,4,10,21,13,14,19,8,20,18,16/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCNCCCCCCCOCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0989
Area:548.97
Solvation:-3.62539
Coulombic:-35.3878
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:351.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):4.57

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Descriptor Annotations

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