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Chemical ID: 5192629
Chemical ID:
5192629
Name [?]:
1-(4-benzyloxyphenyl)-3-isopropylamino-propan-1-one
SMILES [?]:
CC(C)NCCC(=O)c1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C19H23NO2/c1-15(2)20-13-12-19(21)17-8-10-18(11-9-17)22-14-16-6-4-3-5-7-16/h3-11,15,20H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,10,14,11,13,6,5,16,2,17,9,12,7,4,8,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:22nCCCNCCCOCCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2695 |
Area: | 549.599 |
Solvation: | -3.47049 |
Coulombic: | -26.4245 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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