Chemical ID: 7307239

CC1CCCC(C1C)NC(=O)C(C)Oc2cccc(c2)C#N
Chemical ID:
7307239
Name [?]:
2-(3-cyanophenoxy)-N-(2,3-dimethylcyclohexyl)-propanamide
SMILES [?]:
CC1CCCC(C1C)NC(=O)C(C)Oc2cccc(c2)C#N
InChi [?]:
InChI=1/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,13,4,17,3,18,16,5,20,21,2,7,12,19,15,6,10,22,9,11,14/rA:22cCCCCCCCCNCOCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;s6;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O2
All Atoms:46
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:9.56507
Area:528.362
Solvation:-3.644
Coulombic:-33.9397
Bond Count [?]
All:23
Single:18
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:300.395
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):3.39

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Descriptor Annotations

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