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Chemical ID: 4330730
Chemical ID:
4330730
Name [?]:
N-(2-dimethylaminoethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCN(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-10-4-6-11(7-5-10)12(15)13-8-9-14(2)3/h4-7H,8-9H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,3,7,4,6,11,12,2,5,8,10,13,9/E:(2,3)(4,5)(6,7)/rA:15nCCCCCCCCONCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36358 |
Area: | 415.887 |
Solvation: | -2.03359 |
Coulombic: | -27.9431 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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