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Chemical ID: 6579787
Chemical ID:
6579787
Name [?]:
N-ethyl-N-(2-hydroxyethyl)-4-tert-butyl-benzamide
SMILES [?]:
CCN(CCO)C(=O)c1ccc(cc1)C(C)(C)C
InChi [?]:
InChI=1/C15H23NO2/c1-5-16(10-11-17)14(18)12-6-8-13(9-7-12)15(2,3)4/h6-9,17H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,17,18,2,10,14,11,13,4,5,9,12,7,15,3,6,8/E:(2,3,4)(6,7)(8,9)/rA:18nCCNCCOCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s3;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82632 |
Area: | 447.283 |
Solvation: | -3.35577 |
Coulombic: | -34.9122 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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