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Chemical ID: 4343296
Chemical ID:
4343296
Name [?]:
N-(4-acetylphenyl)-2,2,3,3-tetramethyl-cyclopropane-1-carboxamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)C2C(C2(C)C)(C)C
InChi [?]:
InChI=1/C16H21NO2/c1-10(18)11-6-8-12(9-7-11)17-14(19)13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,19,5,9,6,8,2,4,7,13,11,15,14,10,3,12/E:(2,3,4,5)(6,7)(8,9)(15,16)/rA:19nCCOCCCCCCNCOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13s14;s15;s15;s14;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85312 |
Area: | 462.005 |
Solvation: | -2.69701 |
Coulombic: | -28.8426 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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