Chemical ID: 7349571

CC(C)CNC(=O)CC1(CCOC(C1)(C)C)c2ccc(cc2)OC
Chemical ID:
7349571
Name [?]:
N-isobutyl-2-[4-(4-methoxyphenyl)-2,2-dimethyl-tetrahydropyran-4-yl]-acetamide
SMILES [?]:
CC(C)CNC(=O)CC1(CCOC(C1)(C)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C20H31NO3/c1-15(2)13-21-18(22)12-20(10-11-24-19(3,4)14-20)16-6-8-17(23-5)9-7-16/h6-9,15H,10-14H2,1-5H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,24,18,22,19,21,10,11,8,4,14,2,17,20,6,13,9,5,7,23,12/E:(1,2)(3,4)(6,7)(8,9)/rA:24cCCCCNCOCCCCOCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;s13;s13;s9;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H31NO3
All Atoms:55
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.97138
Area:537.79
Solvation:-4.47337
Coulombic:-36.6057
Bond Count [?]
All:25
Single:21
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:333.465
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.24
LogP (Chemaxon):2.71

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