Chemical ID: 7477352

CCOC(=O)c1ccc(cc1)NC(=O)C(C)Oc2cccc(c2)C
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

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Descriptor Annotations

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