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Chemical ID: 6462274
Chemical ID:
6462274
Name [?]:
N-(3-diethylaminopropyl)-3-methyl-benzamide
SMILES [?]:
CCN(CC)CCCNC(=O)c1cccc(c1)C
InChi [?]:
InChI=1/C15H24N2O/c1-4-17(5-2)11-7-10-16-15(18)14-9-6-8-13(3)12-14/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,14,7,15,13,8,6,17,16,12,10,9,3,11/E:(1,2)(4,5)/rA:18nCCNCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3954 |
Area: | 493.134 |
Solvation: | -1.93292 |
Coulombic: | -28.3074 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 248.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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