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Chemical ID: 7504934

Chemical ID:

7504934

Name [?]:

4-benzyloxy-N-cyclohexyl-benzamide

SMILES [?]:

c1ccc(cc1)COc2ccc(cc2)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C20H23NO2/c22-20(21-18-9-5-2-6-10-18)17-11-13-19(14-12-17)23-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,21,2,6,20,22,3,5,19,23,11,13,10,14,7,4,12,18,9,15,17,16,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCCOCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₂
All Atoms:	46
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4938
Area:	541.587
Solvation:	-3.04585
Coulombic:	-32.4441

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	309.402
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.88
LogP (Chemaxon):	4.05

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