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Chemical ID: 6358469
Chemical ID:
6358469
Name [?]:
N-(4-ethoxyphenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C13H19NO2/c1-5-16-11-8-6-10(7-9-11)14-12(15)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,16,2,6,8,5,9,7,4,11,13,10,12,3/E:(2,3,4)(6,7)(8,9)/rA:16nCCOCCCCCCNCOCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7248 |
Area: | 420.032 |
Solvation: | -2.776 |
Coulombic: | -28.4557 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.36 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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