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Chemical ID: 5998378

CCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C

Chemical ID:

5998378

Name [?]:

N,N-dimethyl-2-(4-oxo-1-phenyl-8-propanoyl-1,3,8-triazaspiro[4.5]dec-3-yl)-acetamide

SMILES [?]:

CCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C

InChi [?]:

InChI=1/C20H28N4O3/c1-4-17(25)22-12-10-20(11-13-22)19(27)23(14-18(26)21(2)3)15-24(20)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,26,27,2,19,18,20,17,21,7,9,6,10,22,14,16,3,23,11,8,25,5,13,15,4,24,12/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:27cCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s8s14;s15;s16;d17;s18;d19;d16s20;s13;s22;d23;s23;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₈N₄O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	9.15069
Area:	574.471
Solvation:	-5.21109
Coulombic:	-54.9636

Bond Count [?]

All:	29
Single:	23
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	372.461
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	0.98
LogP (Chemaxon):	0.73

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value