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Chemical ID: 6935764
Chemical ID:
6935764
Name [?]:
2-methyl-N-(2,4,6-trimethylphenyl)-butanamide
SMILES [?]:
CCC(C)C(=O)Nc1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C14H21NO/c1-6-10(3)14(16)15-13-11(4)7-9(2)8-12(13)5/h7-8,10H,6H2,1-5H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,4,14,16,2,12,10,11,3,13,9,8,5,7,6/E:(4,5)(7,8)(11,12)/rA:16cCCCCCONCCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.56313 |
Area: | 413.195 |
Solvation: | -1.76673 |
Coulombic: | -21.035 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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