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Chemical ID: 6935610
Chemical ID:
6935610
Name [?]:
N-(2-ethoxyphenyl)-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)Nc1ccccc1OCC
InChi [?]:
InChI=1/C14H21NO2/c1-5-14(3,4)13(16)15-11-9-7-8-10-12(11)17-6-2/h7-10H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,4,5,2,16,11,12,10,13,9,14,6,3,8,7,15/E:(3,4)/rA:17nCCCCCCONCCCCCCOCC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37472 |
Area: | 436.002 |
Solvation: | -2.52532 |
Coulombic: | -30.0118 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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