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Chemical ID: 7299576

Chemical ID:

7299576

Name [?]:

(2-acetylphenyl)carbamoylmethyl 2-cyclohexylacetate

SMILES [?]:

CC(=O)c1ccccc1NC(=O)COC(=O)CC2CCCCC2

InChi [?]:

InChI=1/C18H23NO4/c1-13(20)15-9-5-6-10-16(15)19-17(21)12-23-18(22)11-14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,6,7,19,23,5,8,17,13,2,18,4,9,11,15,10,3,12,16,14/E:(3,4)(7,8)/rA:23nCCOCCCCCCNCOCOCOCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃NO₄
All Atoms:	46
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.54436
Area:	538.764
Solvation:	-3.92473
Coulombic:	-47.0862

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	317.38
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.95
LogP (Chemaxon):	2.94

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value