Chemical ID: 4471038

CCOc1ccc(cc1OCC)C(=O)NCCCc2ccccc2
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

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