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Chemical ID: 6998469

Chemical ID:

6998469

Name [?]:

N-(morpholinocarbonylmethyl)cyclohexanecarboxamide

SMILES [?]:

C1CCC(CC1)C(=O)NCC(=O)N2CCOCC2

InChi [?]:

InChI=1/C13H22N2O3/c16-12(15-6-8-18-9-7-15)10-14-13(17)11-4-2-1-3-5-11/h11H,1-10H2,(H,14,17)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,18,15,17,10,4,11,7,9,13,12,8,16/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCONCCONCCOCC/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₂N₂O₃
All Atoms:	40
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.47422
Area:	450.421
Solvation:	-3.7863
Coulombic:	-44.9405

Bond Count [?]

All:	19
Single:	17
Double:	2
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	254.325
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	0.54
LogP (Chemaxon):	-0.08

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value