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Chemical ID: 5911140

Chemical ID:

5911140

Name [?]:

N-benzyl-N-(2-furylmethyl)-2-methyl-propanamide

SMILES [?]:

CC(C)C(=O)N(Cc1ccccc1)Cc2ccco2

InChi [?]:

InChI=1/C16H19NO2/c1-13(2)16(18)17(12-15-9-6-10-19-15)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,11,10,12,17,9,13,16,18,7,14,2,8,15,4,6,5,19/E:(1,2)(4,5)(7,8)/rA:19nCCCCONCCCCCCCCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s6;s14;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.22356
Area:	446.852
Solvation:	-2.94773
Coulombic:	-24.64

Bond Count [?]

All:	20
Single:	14
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	257.328
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.52
LogP (Chemaxon):	3.15

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