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Chemical ID: 4144419
Chemical ID:
4144419
Name [?]:
ethyl 2-(4-phenoxybutanoylamino)benzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C19H21NO4/c1-2-23-19(22)16-11-6-7-12-17(16)20-18(21)13-8-14-24-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,8,9,16,20,24,7,10,15,17,19,6,11,13,4,12,14,5,3,18/E:(4,5)(9,10)/rA:24nCCOCOCCCCCCNCOCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1868 |
Area: | 569.528 |
Solvation: | -4.05137 |
Coulombic: | -48.6694 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 327.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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