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Chemical ID: 5763779
Chemical ID:
5763779
Name [?]:
N-(2-methoxyphenyl)-2,2,3,3-tetramethyl-cyclopropane-1-carboxamide
SMILES [?]:
CC1(C(C1(C)C)C(=O)Nc2ccccc2OC)C
InChi [?]:
InChI=1/C15H21NO2/c1-14(2)12(15(14,3)4)13(17)16-10-8-6-7-9-11(10)18-5/h6-9,12H,1-5H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,18,5,6,17,12,13,11,14,10,15,3,7,2,4,9,8,16/E:(1,2,3,4)(14,15)/rA:18nCCCCCCCONCCCCCCOCC/rB:s1;s2;s2s3;s4;s4;s3;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35156 |
Area: | 436.17 |
Solvation: | -2.55268 |
Coulombic: | -29.8766 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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