Chemical ID: 6728045

CC1CCCCC1NC(=O)C(=Cc2ccccc2)NC(=O)C
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

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Descriptor Annotations

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