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Chemical ID: 4157197
Chemical ID:
4157197
Name [?]:
N-(4-acetylphenyl)-4-(4-methoxyphenoxy)-butanamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CCCOc2ccc(cc2)OC
InChi [?]:
InChI=1/C19H21NO4/c1-14(21)15-5-7-16(8-6-15)20-19(22)4-3-13-24-18-11-9-17(23-2)10-12-18/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,14,13,5,9,6,8,19,21,18,22,15,2,4,7,20,17,11,10,3,12,23,16/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCOCCCCCCNCOCCCOCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.26607 |
Area: | 571.825 |
Solvation: | -6.02956 |
Coulombic: | -41.2551 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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