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Chemical ID: 4551146
Chemical ID:
4551146
Name [?]:
N-[[4-(carbamoylmethoxy)-3-methoxy-phenyl]methyl]-N-cyclohexyl-pentanamide
SMILES [?]:
CCCCC(=O)N(Cc1ccc(c(c1)OC)OCC(=O)N)C2CCCCC2
InChi [?]:
InChI=1/C21H32N2O4/c1-3-4-10-21(25)23(17-8-6-5-7-9-17)14-16-11-12-18(19(13-16)26-2)27-15-20(22)24/h11-13,17H,3-10,14-15H2,1-2H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,25,24,26,23,27,4,10,11,14,8,18,9,22,12,13,19,5,21,7,20,6,15,17/E:(6,7)(8,9)/rA:27nCCCCCONCCCCCCCOCOCCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;d19;s19;s7;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86933 |
Area: | 618.094 |
Solvation: | -7.58302 |
Coulombic: | -54.9172 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.49 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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