Chemical ID: 4928964

CN1CCC2(CC1)C(=NC(=O)N2c3ccccc3)NC4CCCCC4
Chemical ID:
4928964
Name [?]:
4-cyclohexylamino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILES [?]:
CN1CCC2(CC1)C(=NC(=O)N2c3ccccc3)NC4CCCCC4
InChi [?]:
InChI=1/C20H28N4O/c1-23-14-12-20(13-15-23)18(21-16-8-4-2-5-9-16)22-19(25)24(20)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,16,22,24,15,17,21,25,14,18,4,6,3,7,20,13,8,10,5,19,9,2,12,11/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:25nCNCCCCCCNCONCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;d10;s5s10;s12;s13;d14;s15;d16;d13s17;s8;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.9917
Area:521.616
Solvation:-2.04867
Coulombic:-43.9879
Bond Count [?]
All:28
Single:23
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:340.463
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.4
LogP (Chemaxon):2.68

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Descriptor Annotations

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