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Chemical ID: 5492819
Chemical ID:
5492819
Name [?]:
N-[3-(1,2-dimethylpropylcarbamoylmethoxy)phenyl]acetamide
SMILES [?]:
CC(C)C(C)NC(=O)COc1cccc(c1)NC(=O)C
InChi [?]:
InChI=1/C15H22N2O3/c1-10(2)11(3)16-15(19)9-20-14-7-5-6-13(8-14)17-12(4)18/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,5,20,13,14,12,16,9,2,4,18,15,11,7,6,17,19,8,10/E:(1,2)/rA:20cCCCCCNCOCOCCCCCCNCOC/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82891 |
Area: | 504.746 |
Solvation: | -4.78975 |
Coulombic: | -47.5004 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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