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Chemical ID: 6350750
Chemical ID:
6350750
Name [?]:
N-cyclohexyl-4-isopropyl-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)NC2CCCCC2
InChi [?]:
InChI=1/C16H23NO/c1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,5,9,6,8,2,4,7,13,10,12,11/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCCCCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.043 |
Area: | 456.642 |
Solvation: | -1.37306 |
Coulombic: | -24.7262 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.66 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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