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Chemical ID: 6661953
Chemical ID:
6661953
Name [?]:
N-(2-hydroxypropyl)-N-[2-(2-methylphenoxy)ethyl]acetamide
SMILES [?]:
Cc1ccccc1OCCN(CC(C)O)C(=O)C
InChi [?]:
InChI=1/C14H21NO3/c1-11-6-4-5-7-14(11)18-9-8-15(13(3)17)10-12(2)16/h4-7,12,16H,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,18,4,5,3,6,10,9,12,2,13,16,7,11,15,17,8/rA:18cCCCCCCCOCCNCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s13;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.66335 |
Area: | 445.343 |
Solvation: | -4.47022 |
Coulombic: | -39.4113 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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