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Chemical ID: 4566872

Chemical ID:

4566872

Name [?]:

N-(2-furylmethyl)-3-(4-methoxyphenyl)-4-methyl-pentanamide

SMILES [?]:

CC(C)C(CC(=O)NCc1ccco1)c2ccc(cc2)OC

InChi [?]:

InChI=1/C18H23NO3/c1-13(2)17(14-6-8-15(21-3)9-7-14)11-18(20)19-12-16-5-4-10-22-16/h4-10,13,17H,11-12H2,1-3H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,3,22,12,11,16,20,17,19,13,5,9,2,15,18,10,4,6,8,7,21,14/E:(1,2)(6,7)(8,9)/rA:22cCCCCCCONCCCCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s4;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃NO₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	8.68532
Area:	525.967
Solvation:	-4.46386
Coulombic:	-35.4263

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	301.38
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.31
LogP (Chemaxon):	2.99

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