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Chemical ID: 6049231
Chemical ID:
6049231
Name [?]:
N-[4-(hydroxymethyl)-2-pyridyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cc(ccn1)CO
InChi [?]:
InChI=1/C11H16N2O2/c1-11(2,3)10(15)13-9-6-8(7-14)4-5-12-9/h4-6,14H,7H2,1-3H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,9,14,10,8,5,2,13,7,15,6/E:(1,2,3)/rA:15nCCCCCONCCCCCNCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s10;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.54793 |
Area: | 394.24 |
Solvation: | -4.30807 |
Coulombic: | -40.0594 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.69 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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