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Chemical ID: 5998411

CN(C)C(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC3CCCC3)c4ccccc4

Chemical ID:

5998411

Name [?]:

2-[8-(3-cyclopentylpropanoyl)-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)CCC3CCCC3)c4ccccc4

InChi [?]:

InChI=1/C25H36N4O3/c1-26(2)23(31)18-28-19-29(21-10-4-3-5-11-21)25(24(28)32)14-16-27(17-15-25)22(30)13-12-20-8-6-7-9-20/h3-5,10-11,20H,6-9,12-19H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,30,29,31,24,25,23,26,28,32,21,20,13,17,14,16,6,8,22,27,18,4,11,10,2,15,7,9,19,5,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:32cCNCCOCNCNCCOCCNCCCOCCCCCCCCCCCCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;d11;s10;s13;s14;s15;s10s16;s15;d18;s18;s20;s21;s22;s23;s24;s22s25;s9;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆N₄O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.1933
Area:	671.86
Solvation:	-4.60317
Coulombic:	-56.7602

Bond Count [?]

All:	35
Single:	29
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	440.578
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	3.42
LogP (Chemaxon):	2.14

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

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Chemical Mix	Source	External ID	Descriptor	Value