Chemical ID: 6325132

CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)OC
Chemical ID:
6325132
Name [?]:
methyl 3-[2-(4-sec-butylphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCC(C)c1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)OC
InChi [?]:
InChI=1/C20H23NO4/c1-4-14(2)15-8-10-18(11-9-15)25-13-19(22)21-17-7-5-6-16(12-17)20(23)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,25,2,18,19,17,6,10,7,9,21,12,3,5,20,16,8,13,22,15,14,23,24,11/E:(8,9)(10,11)/rA:25cCCCCCCCCCCOCCONCCCCCCCOOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.69263
Area:588.452
Solvation:-5.01866
Coulombic:-48.8623
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:341.401
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):4.01

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Descriptor Annotations

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