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Chemical ID: 3965515
Chemical ID:
3965515
Name [?]:
2-[4-(2-hydroxy-3-isopropylamino-propoxy)phenyl]acetamide
SMILES [?]:
CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
InChi [?]:
InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,11,13,10,14,15,5,7,2,12,6,9,16,18,4,19,17,8/E:(1,2)(3,4)(5,6)/rA:19cCCCNCCCOCCCCCCCCONO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.5083 |
Area: | 498.011 |
Solvation: | -5.94196 |
Coulombic: | -56.3566 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 266.336 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 0.46 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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