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Chemical ID: 7299588

Chemical ID:

7299588

Name [?]:

(2,4,6-trimethylphenyl)carbamoylmethyl 2-cyclohexylacetate

SMILES [?]:

Cc1cc(c(c(c1)C)NC(=O)COC(=O)CC2CCCCC2)C

InChi [?]:

InChI=1/C19H27NO3/c1-13-9-14(2)19(15(3)10-13)20-17(21)12-23-18(22)11-16-7-5-4-6-8-16/h9-10,16H,4-8,11-12H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,8,23,20,19,21,18,22,7,3,16,12,2,6,4,17,10,14,5,9,11,15,13/E:(2,3)(5,6)(7,8)(9,10)(14,15)/rA:23nCCCCCCCCNCOCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₇NO₃
All Atoms:	50
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3407
Area:	546.036
Solvation:	-3.31016
Coulombic:	-39.3196

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	317.423
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.57
LogP (Chemaxon):	3.09

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