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Chemical ID: 4420267

Chemical ID:

4420267

Name [?]:

3-[2-(4-methoxyphenoxy)acetyl]amino-2-methyl-benzoic acid

SMILES [?]:

Cc1c(cccc1NC(=O)COc2ccc(cc2)OC)C(=O)O

InChi [?]:

InChI=1/C17H17NO5/c1-11-14(17(20)21)4-3-5-15(11)18-16(19)10-23-13-8-6-12(22-2)7-9-13/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,20,5,4,6,15,17,14,18,11,2,16,13,3,7,9,21,8,10,22,23,19,12/E:(6,7)(8,9)(20,21)/rA:23nCCCCCCCNCOCOCCCCCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.21548
Area:	522.55
Solvation:	-5.84826
Coulombic:	-62.29

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	315.321
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.43
LogP (Chemaxon):	1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value