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Chemical ID: 5911209

Chemical ID:

5911209

Name [?]:

N-benzyl-N-[(5-methyl-2-furyl)methyl]cyclohexanecarboxamide

SMILES [?]:

Cc1ccc(o1)CN(Cc2ccccc2)C(=O)C3CCCCC3

InChi [?]:

InChI=1/C20H25NO2/c1-16-12-13-19(23-16)15-21(14-17-8-4-2-5-9-17)20(22)18-10-6-3-7-11-18/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,21,12,14,20,22,11,15,19,23,3,4,9,7,2,10,18,5,16,8,17,6/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCOCNCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.60173
Area:	512.272
Solvation:	-3.20507
Coulombic:	-24.6864

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.12
LogP (Chemaxon):	3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value