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Chemical ID: 6048258
Chemical ID:
6048258
Name [?]:
N-benzyl-2-benzylamino-acetamide
SMILES [?]:
c1ccc(cc1)CNCC(=O)NCc2ccccc2
InChi [?]:
InChI=1/C16H18N2O/c19-16(18-12-15-9-5-2-6-10-15)13-17-11-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,7,13,9,4,14,10,8,12,11/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCNCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21363 |
Area: | 488.148 |
Solvation: | -2.99006 |
Coulombic: | -32.2056 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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