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Chemical ID: 4573399
Chemical ID:
4573399
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-4-methyl-pentyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILES [?]:
CC(C)C(CCN(Cc1ccc(cc1)OC)C(=O)C)C2CCOC(C2)(C)C
InChi [?]:
InChI=1/C23H37NO3/c1-17(2)22(20-12-14-27-23(4,5)15-20)11-13-24(18(3)25)16-19-7-9-21(26-6)10-8-19/h7-10,17,20,22H,11-16H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,19,26,27,16,10,14,11,13,5,21,6,22,25,8,2,17,9,20,12,4,24,7,18,15,23/E:(1,2)(4,5)(7,8)(9,10)/rA:27cCCCCCCNCCCCCCCOCCOCCCCOCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s7;d17;s17;s4;s20;s21;s22;s23;s20s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H37NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5262 |
Area: | 612.208 |
Solvation: | -4.779 |
Coulombic: | -32.2612 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 375.545 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.2 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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