Chemical ID: 4144419

CCOC(=O)c1ccccc1NC(=O)CCCOc2ccccc2
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

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Descriptor Annotations

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