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Chemical ID: 5315629

Chemical ID:

5315629

Name [?]:

2-[4-(benzylaminomethyl)-2-methoxy-phenoxy]-N-cyclohexyl-acetamide

SMILES [?]:

COc1cc(ccc1OCC(=O)NC2CCCCC2)CNCc3ccccc3

InChi [?]:

InChI=1/C23H30N2O3/c1-27-22-14-19(16-24-15-18-8-4-2-5-9-18)12-13-21(22)28-17-23(26)25-20-10-6-3-7-11-20/h2,4-5,8-9,12-14,20,24H,3,6-7,10-11,15-17H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,26,17,25,27,16,18,24,28,15,19,6,7,4,22,20,10,23,5,14,8,3,11,21,13,12,2,9/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCOCCCCCCOCCONCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s5;s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	9.48942
Area:	654.848
Solvation:	-6.88179
Coulombic:	-45.5815

Bond Count [?]

All:	30
Single:	23
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	382.496
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.81
LogP (Chemaxon):	3.35

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value