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Chemical ID: 4104986

Chemical ID:

4104986

Name [?]:

N-(4-diethylaminophenyl)-2-(3-methylphenoxy)-acetamide

SMILES [?]:

CCN(CC)c1ccc(cc1)NC(=O)COc2cccc(c2)C

InChi [?]:

InChI=1/C19H24N2O2/c1-4-21(5-2)17-11-9-16(10-12-17)20-19(22)14-23-18-8-6-7-15(3)13-18/h6-13H,4-5,14H2,1-3H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,5,23,2,4,19,20,18,8,10,7,11,22,15,21,9,6,17,13,12,3,14,16/E:(1,2)(4,5)(9,10)(11,12)/rA:23nCCNCCCCCCCCNCOCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42323
Area:	550.922
Solvation:	-4.34983
Coulombic:	-34.8259

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	312.406
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.17
LogP (Chemaxon):	4.29

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