ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6423226

Chemical ID:

6423226

Name [?]:

4-amino-N-cyclohexyl-N-methyl-benzamide

SMILES [?]:

CN(C1CCCCC1)C(=O)c2ccc(cc2)N

InChi [?]:

InChI=1/C14H20N2O/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h7-10,13H,2-6,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,6,5,7,4,8,12,16,13,15,11,14,3,9,17,2,10/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCNCCCCCCCOCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s2;d9;s9;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₂O
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.73258
Area:	419.912
Solvation:	-1.76522
Coulombic:	-35.1154

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	232.321
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.58
LogP (Chemaxon):	1.99

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