Chemical ID: 4570683

CC(C)C(CC(=O)NCCC(c1ccccc1)C2CCOC(C2)(C)C)c3ccco3
Chemical ID:
4570683
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]-3-(2-furyl)-4-methyl-pentanamide
SMILES [?]:
CC(C)C(CC(=O)NCCC(c1ccccc1)C2CCOC(C2)(C)C)c3ccco3
InChi [?]:
InChI=1/C26H37NO3/c1-19(2)23(24-11-8-15-29-24)17-25(28)27-14-12-22(20-9-6-5-7-10-20)21-13-16-30-26(3,4)18-21/h5-11,15,19,21-23H,12-14,16-18H2,1-4H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,15,14,16,28,13,17,27,10,19,9,29,20,5,23,2,12,18,11,4,26,6,22,8,7,30,21/E:(1,2)(3,4)(6,7)(9,10)/rA:30cCCCCCCONCCCCCCCCCCCCOCCCCCCCCO/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s21;s18s22;s22;s22;s4;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:3
ZAP Information [?]
Total:12.3209
Area:673.753
Solvation:-4.52289
Coulombic:-37.3793
Bond Count [?]
All:32
Single:26
Double:6
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.577
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.0
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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