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Chemical ID: 4403051
Chemical ID:
4403051
Name [?]:
N-(p-tolylcarbamoylmethyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CNC(=O)C2CCCCC2
InChi [?]:
InChI=1/C16H22N2O2/c1-12-7-9-14(10-8-12)18-15(19)11-17-16(20)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,7,4,6,11,2,15,5,9,13,12,8,10,14/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCNCOCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.64139 |
Area: | 490.428 |
Solvation: | -2.6193 |
Coulombic: | -42.3257 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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