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Chemical ID: 4444157
Chemical ID:
4444157
Name [?]:
N-(2-benzamidoethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NCCNC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H18N2O2/c1-13-7-9-15(10-8-13)17(21)19-12-11-18-16(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,3,7,4,6,12,11,2,16,5,14,8,13,10,15,9/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCONCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2412 |
Area: | 518.158 |
Solvation: | -2.71276 |
Coulombic: | -46.2038 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 282.337 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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