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Chemical ID: 4162811

Cc1ccc(cc1)NC(=O)c2ccc(cc2)OC(=O)CCC3CCCCC3

Chemical ID:

4162811

Name [?]:

[4-(p-tolylcarbamoyl)phenyl] 3-cyclohexylpropanoate

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2ccc(cc2)OC(=O)CCC3CCCCC3

InChi [?]:

InChI=1/C23H27NO3/c1-17-7-12-20(13-8-17)24-23(26)19-10-14-21(15-11-19)27-22(25)16-9-18-5-3-2-4-6-18/h7-8,10-15,18H,2-6,9,16H2,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,3,7,21,12,16,4,6,13,15,20,2,22,11,5,14,18,9,8,19,10,17/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:27nCCCCCCCNCOCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇NO₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7103
Area:	619.75
Solvation:	-2.78345
Coulombic:	-41.6613

Bond Count [?]

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

Chemical Properties

Molecular Weight:	365.465
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.48
LogP (Chemaxon):	5.5

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

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Chemical Mix	Source	External ID	Descriptor	Value