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Chemical ID: 4154006

Chemical ID:

4154006

Name [?]:

N-cyclododecyl-4-(3-methylphenoxy)-butanamide

SMILES [?]:

Cc1cccc(c1)OCCCC(=O)NC2CCCCCCCCCCC2

InChi [?]:

InChI=1/C23H37NO2/c1-20-13-11-16-22(19-20)26-18-12-17-23(25)24-21-14-9-7-5-3-2-4-6-8-10-15-21/h11,13,16,19,21H,2-10,12,14-15,17-18H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,18,24,17,25,4,10,3,16,26,5,11,9,7,2,15,6,12,14,13,8/E:(3,4)(5,6)(7,8)(9,10)(14,15)/rA:26nCCCCCCCOCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₇NO₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7519
Area:	602.269
Solvation:	-3.30485
Coulombic:	-30.5863

Bond Count [?]

All:	27
Single:	23
Double:	4
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	359.545
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.3
LogP (Chemaxon):	5.58

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