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Chemical ID: 4087626

Cc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3

Chemical ID:

4087626

Name [?]:

cyclohexyl 4-[2-(4-methylphenoxy)acetyl]aminobenzoate

SMILES [?]:

Cc1ccc(cc1)OCC(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3

InChi [?]:

InChI=1/C22H25NO4/c1-16-7-13-19(14-8-16)26-15-21(24)23-18-11-9-17(10-12-18)22(25)27-20-5-3-2-4-6-20/h7-14,20H,2-6,15H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,3,7,15,17,14,18,4,6,9,2,16,13,5,22,10,19,12,11,20,8,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCOCCONCCCCCCCOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅NO₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7268
Area:	615.576
Solvation:	-4.66255
Coulombic:	-49.4466

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	367.438
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.88
LogP (Chemaxon):	4.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value