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Chemical ID: 6158440

Chemical ID:

6158440

Name [?]:

3-benzamido-N-isobutyl-benzamide

SMILES [?]:

CC(C)CNC(=O)c1cccc(c1)NC(=O)c2ccccc2

InChi [?]:

InChI=1/C18H20N2O2/c1-13(2)12-19-17(21)15-9-6-10-16(11-15)20-18(22)14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,3,20,19,21,10,18,22,9,11,13,4,2,17,8,12,6,15,5,14,7,16/E:(1,2)(4,5)(7,8)/rA:22nCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3873
Area:	527.56
Solvation:	-2.80165
Coulombic:	-45.404

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	296.364
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.48
LogP (Chemaxon):	3.21

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