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Chemical ID: 6461387

Chemical ID:

6461387

Name [?]:

2-[4-(cyclohexylaminomethyl)-2-methoxy-phenoxy]-N-tert-butyl-acetamide

SMILES [?]:

CC(C)(C)NC(=O)COc1ccc(cc1OC)CNC2CCCCC2

InChi [?]:

InChI=1/C20H32N2O3/c1-20(2,3)22-19(23)14-25-17-11-10-15(12-18(17)24-4)13-21-16-8-6-5-7-9-16/h10-12,16,21H,5-9,13-14H2,1-4H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,3,4,17,23,22,24,21,25,12,11,14,18,8,13,20,10,15,6,2,19,5,7,16,9/E:(1,2,3)(6,7)(8,9)/rA:25nCCCCNCOCOCCCCCCOCCNCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₂N₂O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71853
Area:	599.487
Solvation:	-6.26865
Coulombic:	-44.2499

Bond Count [?]

All:	26
Single:	22
Double:	4
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	348.48
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.4
LogP (Chemaxon):	2.41

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