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Chemical ID: 7300281

Chemical ID:

7300281

Name [?]:

cycloheptylcarbamoylmethyl 4-acetamidobenzoate

SMILES [?]:

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)NC2CCCCCC2

InChi [?]:

InChI=1/C18H24N2O4/c1-13(21)19-16-10-8-14(9-11-16)18(23)24-12-17(22)20-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,21,22,20,23,19,24,7,9,6,10,14,2,8,18,5,15,11,4,17,3,16,12,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:24nCCONCCCCCCCOOCCONCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;s18s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄N₂O₄
All Atoms:	48
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.98836
Area:	566.422
Solvation:	-4.17219
Coulombic:	-60.5379

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	332.394
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	2.78
LogP (Chemaxon):	1.82

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