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Chemical ID: 6460182
Chemical ID:
6460182
Name [?]:
N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)C(C)NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C20H25NO3/c1-4-23-18-12-11-17(14-19(18)24-5-2)15(3)21-20(22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,14,2,11,22,21,23,20,24,6,5,18,8,13,19,7,4,9,16,15,17,3,10/E:(7,8)(9,10)/rA:24cCCOCCCCCCOCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.81802 |
Area: | 579.612 |
Solvation: | -5.67227 |
Coulombic: | -36.3368 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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