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Chemical ID: 4739969
Chemical ID:
4739969
Name [?]:
N-(3,4-dimethylphenyl)acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C
InChi [?]:
InChI=1/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,8,12,3,4,6,2,7,10,5,9,11/rA:12nCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53304 |
Area: | 336.983 |
Solvation: | -1.89153 |
Coulombic: | -19.5348 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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