ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7303012

Chemical ID:

7303012

Name [?]:

2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)-N-sec-butyl-acetamide

SMILES [?]:

CCC(C)NC(=O)CN1C(=O)C2(CCC(CC2)C)NC1=O

InChi [?]:

InChI=1/C15H25N3O3/c1-4-11(3)16-12(19)9-18-13(20)15(17-14(18)21)7-5-10(2)6-8-15/h10-11H,4-9H2,1-3H3,(H,16,19)(H,17,21)

InChi Info:

AuxInfo=1/1/N:1,18,4,2,14,16,13,17,8,15,3,6,10,20,12,5,19,9,7,11,21/E:(5,6)(7,8)/rA:21cCCCCNCOCNCOCCCCCCCNCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s12;s9s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅N₃O₃
All Atoms:	46
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.34431
Area:	497.631
Solvation:	-3.09647
Coulombic:	-60.897

Bond Count [?]

All:	22
Single:	19
Double:	3
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	295.377
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.33
LogP (Chemaxon):	0.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value