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Chemical ID: 4152295

Chemical ID:

4152295

Name [?]:

2-(4-isopropyl-3-methyl-phenoxy)-N-(1-phenylethyl)acetamide

SMILES [?]:

Cc1cc(ccc1C(C)C)OCC(=O)NC(C)c2ccccc2

InChi [?]:

InChI=1/C20H25NO2/c1-14(2)19-11-10-18(12-15(19)3)23-13-20(22)21-16(4)17-8-6-5-7-9-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:9,10,1,17,21,20,22,19,23,5,6,3,12,8,2,16,18,4,7,13,15,14,11/E:(1,2)(6,7)(8,9)/rA:23cCCCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	10.0436
Area:	557.042
Solvation:	-3.88248
Coulombic:	-31.1648

Bond Count [?]

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

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.19
LogP (Chemaxon):	4.57

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