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Chemical ID: 4562067

Chemical ID:

4562067

Name [?]:

N-[3-(2-furyl)-3-phenyl-propyl]-3-methyl-butanamide

SMILES [?]:

CC(C)CC(=O)NCCC(c1ccccc1)c2ccco2

InChi [?]:

InChI=1/C18H23NO2/c1-14(2)13-18(20)19-11-10-16(17-9-6-12-21-17)15-7-4-3-5-8-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,3,14,13,15,19,12,16,18,9,8,20,4,2,11,10,17,5,7,6,21/E:(1,2)(4,5)(7,8)/rA:21cCCCCCONCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s10;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃NO₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	9.94108
Area:	521.088
Solvation:	-3.08612
Coulombic:	-29.2185

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	285.381
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.45
LogP (Chemaxon):	3.42

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