Chemical ID: 6008316

CCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC)c3ccccc3
Chemical ID:
6008316
Name [?]:
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N-butyl-acetamide
SMILES [?]:
CCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC)c3ccccc3
InChi [?]:
InChI=1/C23H34N4O3/c1-3-5-14-24-20(28)17-26-18-27(19-10-7-6-8-11-19)23(22(26)30)12-15-25(16-13-23)21(29)9-4-2/h6-8,10-11H,3-5,9,12-18H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,28,27,29,22,26,30,15,19,4,16,18,8,10,25,6,20,13,12,5,17,9,11,7,21,14/E:(7,8)(10,11)(12,13)(15,16)/rA:30cCCCCNCOCNCNCCOCCNCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s11;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H34N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.9762
Area:656.86
Solvation:-4.44527
Coulombic:-61.593
Bond Count [?]
All:32
Single:26
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.541
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.75
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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