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Chemical ID: 6000055

CCCCC(CC)C(=O)N(CCCC)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC

Chemical ID:

6000055

Name [?]:

N-butyl-2-ethyl-N-[[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]hexanamide

SMILES [?]:

CCCCC(CC)C(=O)N(CCCC)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC

InChi [?]:

InChI=1/C28H42N4O4/c1-5-8-13-21(7-3)28(34)31(17-9-6-2)20-25(33)32-18-11-10-16-24(32)27-29-26(30-36-27)22-14-12-15-23(19-22)35-4/h12,14-15,19,21,24H,5-11,13,16-18,20H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,14,7,36,2,13,6,3,12,21,20,31,4,30,32,22,11,19,34,15,5,29,33,23,16,26,24,8,25,27,10,18,17,9,35,28/rA:36cCCCCCCCCONCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;s23;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₄₂N₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	2

ZAP Information [?]

Total:	13.7855
Area:	787.399
Solvation:	-5.89948
Coulombic:	-52.7914

Bond Count [?]

All:	38
Single:	31
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	12

Chemical Properties

Molecular Weight:	498.658
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.07
LogP (Chemaxon):	5.05

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