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Chemical ID: 6933794
Chemical ID:
6933794
Name [?]:
3,4-dimethyl-N-(1-methylbutyl)benzamide
SMILES [?]:
CCCC(C)NC(=O)c1ccc(c(c1)C)C
InChi [?]:
InChI=1/C14H21NO/c1-5-6-12(4)15-14(16)13-8-7-10(2)11(3)9-13/h7-9,12H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,15,5,2,3,11,10,14,12,13,4,9,7,6,8/rA:16cCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 37 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.48651 |
Area: | 434.32 |
Solvation: | -1.37149 |
Coulombic: | -23.8418 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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