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Chemical ID: 6302800
Chemical ID:
6302800
Name [?]:
N-cyclohexyl-4-[(3-methoxyphenoxy)methyl]benzamide
SMILES [?]:
COc1cccc(c1)OCc2ccc(cc2)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C21H25NO3/c1-24-19-8-5-9-20(14-19)25-15-16-10-12-17(13-11-16)21(23)22-18-6-3-2-4-7-18/h5,8-14,18H,2-4,6-7,15H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,5,21,25,4,6,12,16,13,15,8,10,11,14,20,3,7,17,19,18,2,9/E:(3,4)(6,7)(10,11)(12,13)/rA:25nCOCCCCCCOCCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0513 |
Area: | 579.107 |
Solvation: | -4.42636 |
Coulombic: | -38.7498 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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