Chemical ID: 4568793

CC(C)C(CCNC(=O)C1CCOC(C1)(C)C)c2ccc(cc2)OC
Chemical ID:
4568793
Name [?]:
N-[3-(4-methoxyphenyl)-4-methyl-pentyl]-2,2-dimethyl-tetrahydropyran-4-carboxamide
SMILES [?]:
CC(C)C(CCNC(=O)C1CCOC(C1)(C)C)c2ccc(cc2)OC
InChi [?]:
InChI=1/C21H33NO3/c1-15(2)19(16-6-8-18(24-5)9-7-16)10-12-22-20(23)17-11-13-25-21(3,4)14-17/h6-9,15,17,19H,10-14H2,1-5H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,25,19,23,20,22,5,11,6,12,15,2,18,10,21,4,8,14,7,9,24,13/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCCNCOCCCOCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;s14;s4;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H33NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.0588
Area:593.16
Solvation:-4.77024
Coulombic:-36.923
Bond Count [?]
All:26
Single:22
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.492
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.32
LogP (Chemaxon):3.17

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Descriptor Annotations

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