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Chemical ID: 7477352
Chemical ID:
7477352
Name [?]:
ethyl 4-[2-(3-methylphenoxy)propanoylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
InChi [?]:
InChI=1/C19H21NO4/c1-4-23-19(22)15-8-10-16(11-9-15)20-18(21)14(3)24-17-7-5-6-13(2)12-17/h5-12,14H,4H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,16,2,20,21,19,7,11,8,10,23,22,15,6,9,18,13,4,12,14,5,3,17/E:(8,9)(10,11)/rA:24cCCOCOCCCCCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 45 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.91227 |
Area: | 568.367 |
Solvation: | -4.2969 |
Coulombic: | -49.6159 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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