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Chemical ID: 6969481

Chemical ID:

6969481

Name [?]:

N-[(2-benzyloxyphenyl)methyleneamino]cyclohexanecarboxamide

SMILES [?]:

c1ccc(cc1)COc2ccccc2C=NNC(=O)C3CCCCC3

InChi [?]:

InChI=1/C21H24N2O2/c24-21(18-11-5-2-6-12-18)23-22-15-19-13-7-8-14-20(19)25-16-17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,23,2,6,22,24,12,11,3,5,21,25,13,10,15,7,4,20,14,9,18,16,17,19,8/E:(3,4)(5,6)(9,10)(11,12)/rA:25nCCCCCCCOCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄N₂O₂
All Atoms:	49
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	7.99201
Area:	552.018
Solvation:	-5.80844
Coulombic:	-26.347

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	336.428
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.81
LogP (Chemaxon):	4.91

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