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Chemical ID: 5014479
Chemical ID:
5014479
Name [?]:
ethyl 3-(cyclohexyl-(phenylcarbamoyl)amino)propanoate
SMILES [?]:
CCOC(=O)CCN(C1CCCCC1)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C18H26N2O3/c1-2-23-17(21)13-14-20(16-11-7-4-8-12-16)18(22)19-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,12,20,22,11,13,19,23,10,14,6,7,18,9,4,15,17,8,5,16,3/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCOCOCCNCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1451 |
Area: | 550.089 |
Solvation: | -2.60713 |
Coulombic: | -49.8161 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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