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Chemical ID: 6468299

COC(=O)c1ccccc1NC(=O)COc2ccc(cc2)C3CCCCC3

Chemical ID:

6468299

Name [?]:

methyl 2-[2-(4-cyclohexylphenoxy)acetyl]aminobenzoate

SMILES [?]:

COC(=O)c1ccccc1NC(=O)COc2ccc(cc2)C3CCCCC3

InChi [?]:

InChI=1/C22H25NO4/c1-26-22(25)19-9-5-6-10-20(19)23-21(24)15-27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,7,8,23,27,6,9,18,20,17,21,14,22,19,16,5,10,12,3,11,13,4,2,15/E:(3,4)(7,8)(11,12)(13,14)/rA:27nCOCOCCCCCCNCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.7952
Area:	603.568
Solvation:	-4.29398
Coulombic:	-50.1166

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	367.438
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.81
LogP (Chemaxon):	4.95

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