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Chemical ID: 3951240

Chemical ID:

3951240

Name [?]:

N-cyclohexyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CCCCC3

InChi [?]:

InChI=1/C17H22N2O3/c1-12-7-8-15-14(9-12)19(17(21)11-22-15)10-16(20)18-13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,20,19,21,18,22,3,4,7,13,11,2,17,6,5,14,9,16,8,15,10,12/E:(3,4)(5,6)/rA:22nCCCCCCCNCOCOCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.355
Area:	496.574
Solvation:	-4.05935
Coulombic:	-45.5964

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	302.368
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.23
LogP (Chemaxon):	1.57

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