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Chemical ID: 6322516
Chemical ID:
6322516
Name [?]:
N-(3-dimethylaminopropyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCCN(C)C
InChi [?]:
InChI=1/C13H20N2O/c1-11-5-7-12(8-6-11)13(16)14-9-4-10-15(2)3/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,15,16,12,3,7,4,6,11,13,2,5,8,10,14,9/E:(2,3)(5,6)(7,8)/rA:16nCCCCCCCCONCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02679 |
Area: | 442.175 |
Solvation: | -2.02758 |
Coulombic: | -27.9429 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 220.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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