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Chemical ID: 6345893
Chemical ID:
6345893
Name [?]:
N-cyclopropyl-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)NC2CC2
InChi [?]:
InChI=1/C12H15NO/c1-8-3-4-10(7-9(8)2)12(14)13-11-5-6-11/h3-4,7,11H,5-6H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,13,14,6,2,7,5,12,9,11,10/E:(5,6)/rA:14nCCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09666 |
Area: | 382.769 |
Solvation: | -1.47257 |
Coulombic: | -22.8358 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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