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Chemical ID: 4471038
Chemical ID:
4471038
Name [?]:
3,4-diethoxy-N-(3-phenylpropyl)benzamide
SMILES [?]:
CCOc1ccc(cc1OCC)C(=O)NCCCc2ccccc2
InChi [?]:
InChI=1/C20H25NO3/c1-3-23-18-13-12-17(15-19(18)24-4-2)20(22)21-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15H,3-4,8,11,14H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,22,21,23,17,20,24,18,6,5,16,8,19,7,4,9,13,15,14,3,10/E:(6,7)(9,10)/rA:24nCCOCCCCCCOCCCONCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69532 |
Area: | 591.189 |
Solvation: | -5.08439 |
Coulombic: | -37.9617 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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