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Chemical ID: 4489658
Chemical ID:
4489658
Name [?]:
2-[4-(benzylaminomethyl)-2-ethoxy-phenoxy]-N-cyclohexyl-acetamide
SMILES [?]:
CCOc1cc(ccc1OCC(=O)NC2CCCCC2)CNCc3ccccc3
InChi [?]:
InChI=1/C24H32N2O3/c1-2-28-23-15-20(17-25-16-19-9-5-3-6-10-19)13-14-22(23)29-18-24(27)26-21-11-7-4-8-12-21/h3,5-6,9-10,13-15,21,25H,2,4,7-8,11-12,16-18H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,27,18,26,28,17,19,25,29,16,20,7,8,5,23,21,11,24,6,15,9,4,12,22,14,13,3,10/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCOCCCCCCOCCONCCCCCCCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s6;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2885 |
Area: | 682.496 |
Solvation: | -6.77394 |
Coulombic: | -45.8433 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.523 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.23 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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