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Chemical ID: 4175253
Chemical ID:
4175253
Name [?]:
N-benzyl-N-ethyl-2-phenyl-acetamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)Cc2ccccc2
InChi [?]:
InChI=1/C17H19NO/c1-2-18(14-16-11-7-4-8-12-16)17(19)13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,8,16,18,7,9,15,19,6,10,13,4,14,5,11,3,12/E:(5,6)(7,8)(9,10)(11,12)/rA:19nCCNCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12074 |
Area: | 461.017 |
Solvation: | -2.40469 |
Coulombic: | -18.8792 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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