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Chemical ID: 4570851
Chemical ID:
4570851
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-4-methyl-pentyl]-N-[(4-isopropoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(C1CCOC(C1)(C)C)C(C)C)Cc2ccc(cc2)OC(C)C
InChi [?]:
InChI=1/C26H43NO3/c1-8-25(28)27(18-21-9-11-23(12-10-21)30-20(4)5)15-13-24(19(2)3)22-14-16-29-26(6,7)17-22/h9-12,19-20,22,24H,8,13-18H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,18,19,29,30,15,16,2,22,26,23,25,7,10,6,11,14,20,17,28,21,9,24,8,3,13,5,4,12,27/E:(2,3)(4,5)(6,7)(9,10)(11,12)/rA:30cCCCONCCCCCCOCCCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s13;s13;s8;s17;s17;s5;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H43NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.5518 |
Area: | 686.579 |
Solvation: | -4.61264 |
Coulombic: | -33.3059 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 417.625 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.34 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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