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Chemical ID: 7257031
Chemical ID:
7257031
Name [?]:
N-(2,6-diisopropylphenyl)-2-(2-hydroxyethylamino)acetamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CNCCO)C(C)C
InChi [?]:
InChI=1/C16H26N2O2/c1-11(2)13-6-5-7-14(12(3)4)16(13)18-15(20)10-17-8-9-19/h5-7,11-12,17,19H,8-10H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,6,5,7,15,16,13,2,18,4,8,11,9,14,10,17,12/E:(1,2,3,4)(6,7)(11,12)(13,14)/rA:20nCCCCCCCCCNCOCNCCOCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s8;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05875 |
Area: | 501.422 |
Solvation: | -4.4768 |
Coulombic: | -45.7031 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 278.39 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.24 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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