Chemical ID: 6038618

CCCCCCNC(=O)CCN(CCC(C)C)C(=O)c1cnccn1
Chemical ID:
6038618
Name [?]:
N-[2-(hexylcarbamoyl)ethyl]-N-isopentyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCCCNC(=O)CCN(CCC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C19H32N4O2/c1-4-5-6-7-10-22-18(24)9-14-23(13-8-16(2)3)19(25)17-15-20-11-12-21-17/h11-12,15-16H,4-10,13-14H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,3,4,5,14,10,6,23,24,13,11,21,15,20,8,18,22,25,7,12,9,19/E:(2,3)/rA:25nCCCCCCNCOCCNCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s15;s15;s12;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H32N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.6753
Area:624.938
Solvation:-2.94817
Coulombic:-49.9951
Bond Count [?]
All:25
Single:20
Double:5
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:348.483
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):1.61

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Experimental Annotations

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Descriptor Annotations

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