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Chemical ID: 6728045
Chemical ID:
6728045
Name [?]:
2-acetamido-N-(2-methylcyclohexyl)-3-phenyl-prop-2-enamide
SMILES [?]:
CC1CCCCC1NC(=O)C(=Cc2ccccc2)NC(=O)C
InChi [?]:
InChI=1/C18H24N2O2/c1-13-8-6-7-11-16(13)20-18(22)17(19-14(2)21)12-15-9-4-3-5-10-15/h3-5,9-10,12-13,16H,6-8,11H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,16,15,17,4,5,3,14,18,6,12,2,20,13,7,11,9,19,8,21,10/E:(4,5)(9,10)/rA:22cCCCCCCCNCOCCCCCCCCNCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.83674 |
Area: | 505.348 |
Solvation: | -2.79695 |
Coulombic: | -44.0121 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.4 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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