Chemical ID: 5233979

CCCCC1(C(=O)N(C(=O)N(C1=O)C2CCCCC2)C)CN(C)C
Chemical ID:
5233979
Name [?]:
5-butyl-1-cyclohexyl-5-(dimethylaminomethyl)-3-methyl-hexahydropyrimidine-2,4,6-trione
SMILES [?]:
CCCCC1(C(=O)N(C(=O)N(C1=O)C2CCCCC2)C)CN(C)C
InChi [?]:
InChI=1/C18H31N3O3/c1-5-6-12-18(13-19(2)3)15(22)20(4)17(24)21(16(18)23)14-10-8-7-9-11-14/h14H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,20,2,3,17,16,18,15,19,4,21,14,6,12,9,5,22,8,11,7,13,10/E:(2,3)(8,9)(10,11)/rA:24cCCCCCCONCONCOCCCCCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s9;s5s11;d12;s11;s14;s15;s16;s17;s14s18;s8;s5;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.8971
Area:522.519
Solvation:-2.16593
Coulombic:-50.4561
Bond Count [?]
All:25
Single:22
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.457
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.54
LogP (Chemaxon):2.63

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