Chemical ID: 4144422

COC(=O)c1ccccc1NC(=O)CCCOc2ccccc2
Chemical ID:
4144422
Name [?]:
methyl 2-(4-phenoxybutanoylamino)benzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CCCOc2ccccc2
InChi [?]:
InChI=1/C18H19NO4/c1-22-18(21)15-10-5-6-11-16(15)19-17(20)12-7-13-23-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,7,8,15,19,23,6,9,14,16,18,5,10,12,3,11,13,4,2,17/E:(3,4)(8,9)/rA:23nCOCOCCCCCCNCOCCCOCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.46735
Area:544.256
Solvation:-4.13906
Coulombic:-48.3546
Bond Count [?]
All:24
Single:16
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:313.348
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.56
LogP (Chemaxon):3.51

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Descriptor Annotations

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