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Chemical ID: 4570715

Chemical ID:

4570715

Name [?]:

N-benzyl-N-[3-(2-furyl)-4-methyl-pentyl]-acetamide

SMILES [?]:

CC(C)C(CCN(Cc1ccccc1)C(=O)C)c2ccco2

InChi [?]:

InChI=1/C19H25NO2/c1-15(2)18(19-10-7-13-22-19)11-12-20(16(3)21)14-17-8-5-4-6-9-17/h4-10,13,15,18H,11-12,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,17,12,11,13,20,10,14,19,5,6,21,8,2,15,9,4,18,7,16,22/E:(1,2)(5,6)(8,9)/rA:22cCCCCCCNCCCCCCCCOCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s7;d15;s15;s4;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	9.79973
Area:	514.542
Solvation:	-3.06381
Coulombic:	-24.3749

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	299.407
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.85
LogP (Chemaxon):	3.59

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