Chemical ID: 5998420

CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3CCCC3)c4ccccc4
Chemical ID:
5998420
Name [?]:
2-(8-cyclopentylcarbonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N,N-dimethyl-acetamide
SMILES [?]:
CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3CCCC3)c4ccccc4
InChi [?]:
InChI=1/C23H32N4O3/c1-24(2)20(28)16-26-17-27(19-10-4-3-5-11-19)23(22(26)30)12-14-25(15-13-23)21(29)18-8-6-7-9-18/h3-5,10-11,18H,6-9,12-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,28,27,29,22,23,21,24,26,30,13,17,14,16,6,8,20,25,4,18,11,10,2,15,7,9,5,19,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30cCNCCOCNCNCCOCCNCCCOCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;s22;s20s23;s9;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9219
Area:615.628
Solvation:-4.46879
Coulombic:-56.7116
Bond Count [?]
All:33
Single:27
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:412.525
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.07
LogP (Chemaxon):1.58

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Descriptor Annotations

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