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Chemical ID: 5869288
Chemical ID:
5869288
Name [?]:
4-benzyloxy-3-methoxy-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1ccc(c(c1)OC)OCc2ccccc2
InChi [?]:
InChI=1/C18H21NO3/c1-3-11-19-18(20)15-9-10-16(17(12-15)21-2)22-13-14-7-5-4-6-8-14/h4-10,12H,3,11,13H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,2,20,19,21,18,22,8,9,3,12,16,17,7,10,11,5,4,6,13,15/E:(5,6)(7,8)/rA:22nCCCNCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22552 |
Area: | 537.65 |
Solvation: | -5.21572 |
Coulombic: | -37.8682 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 299.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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