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Chemical ID: 4147147
Chemical ID:
4147147
Name [?]:
propyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccc(cc2)C
InChi [?]:
InChI=1/C19H21NO4/c1-3-12-23-19(22)15-6-8-16(9-7-15)20-18(21)13-24-17-10-4-14(2)5-11-17/h4-11H,3,12-13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,2,20,22,8,12,9,11,19,23,3,16,21,7,10,18,14,5,13,15,6,4,17/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCOCOCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73037 |
Area: | 577.867 |
Solvation: | -4.71629 |
Coulombic: | -48.8509 |
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: | 3.83 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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