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Chemical ID: 4331991
Chemical ID:
4331991
Name [?]:
N-[3-(2,2-dimethyltetrahydropyran-4-yl)-3-phenyl-propyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILES [?]:
CCC(=O)N(CCC(c1ccccc1)C2CCOC(C2)(C)C)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C27H37NO3/c1-5-26(29)28(20-21-11-13-24(30-4)14-12-21)17-15-25(22-9-7-6-8-10-22)23-16-18-31-27(2,3)19-23/h6-14,23,25H,5,15-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,31,2,12,11,13,10,14,25,29,26,28,7,16,6,17,20,23,24,9,15,27,8,3,19,5,4,30,18/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCONCCCCCCCCCCCCOCCCCCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;s16;s17;s18;s15s19;s19;s19;s5;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H37NO3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.4696 |
Area: | 669.684 |
Solvation: | -5.27253 |
Coulombic: | -33.5475 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.588 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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