Chemical ID: 5838043

Cc1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(c(c2)C)C
Chemical ID:
5838043
Name [?]:
2-[2-(3,4-dimethylphenoxy)acetyl]amino-5-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)C(=O)O)NC(=O)COc2ccc(c(c2)C)C
InChi [?]:
InChI=1/C18H19NO4/c1-11-4-7-16(15(8-11)18(21)22)19-17(20)10-23-14-6-5-12(2)13(3)9-14/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,3,18,17,4,7,21,14,2,19,20,16,6,5,12,8,11,13,9,10,15/E:(21,22)/rA:23nCCCCCCCCOONCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.92679
Area:530.594
Solvation:-4.33807
Coulombic:-56.0883
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.348
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):4.44

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Descriptor Annotations

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