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Chemical ID: 5999004

COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3CCCC3)c4ccccc4

Chemical ID:

5999004

Name [?]:

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

SMILES [?]:

COCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C3CCCC3)c4ccccc4

InChi [?]:

InChI=1/C25H36N4O4/c1-33-17-7-14-26-22(30)18-28-19-29(21-10-3-2-4-11-21)25(24(28)32)12-15-27(16-13-25)23(31)20-8-5-6-9-20/h2-4,10-11,20H,5-9,12-19H2,1H3,(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,31,30,32,25,26,4,24,27,29,33,16,20,5,17,19,3,9,11,23,28,7,21,14,13,6,18,10,12,8,22,15,2/E:(3,4)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:33cCOCCCNCOCNCNCCOCCNCCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s10s13;d14;s13;s16;s17;s18;s13s19;s18;d21;s21;s23;s24;s25;s23s26;s12;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆N₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	11.434
Area:	697.916
Solvation:	-6.01386
Coulombic:	-68.9006

Bond Count [?]

All:	36
Single:	30
Double:	6
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	456.578
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.09
LogP (Chemaxon):	1.22

Name Annotations

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

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