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Chemical ID: 6002736

CCCCN(CC(=O)Nc1ccon1)C(=O)NC23CC4CC(C2)CC(C4)C3

Chemical ID:

6002736

Name [?]:

2-(1-adamantylcarbamoyl-butyl-amino)-N-isoxazol-3-yl-acetamide

SMILES [?]:

CCCCN(CC(=O)Nc1ccon1)C(=O)NC23CC4CC(C2)CC(C4)C3

InChi [?]:

InChI=1/C20H30N4O3/c1-2-3-5-24(13-18(25)21-17-4-6-27-23-17)19(26)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h4,6,14-16H,2-3,5,7-13H2,1H3,(H,22,26)(H,21,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,11,4,12,21,24,26,23,19,27,6,22,20,25,10,7,15,18,9,17,14,5,8,16,13/E:(7,8,9)(10,11,12)(14,15,16)/rA:27nCCCCNCCONCCCONCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s12;d10s13;s5;d15;s15;s17;s18;s19;s20;s21;s18s22;s22;s24;s20s25;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₀N₄O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.922
Area:	585.859
Solvation:	-3.72446
Coulombic:	-55.0609

Bond Count [?]

All:	30
Single:	26
Double:	4
Rotors:	10
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	374.477
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.51
LogP (Chemaxon):	2.65

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