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Chemical ID: 3967941

Chemical ID:

3967941

Name [?]:

2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenyl-butanoate

SMILES [?]:

CCC(CC)(c1ccccc1)C(=O)OCCOCCN(CC)CC

InChi [?]:

InChI=1/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,5,22,24,2,4,21,23,9,8,10,7,11,19,18,16,15,6,12,3,20,13,17,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:24nCCCCCCCCCCCCOOCCOCCNCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s3;d12;s12;s14;s15;s16;s17;s18;s19;s20;s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₃NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2389
Area:	555.833
Solvation:	-3.65695
Coulombic:	-34.5315

Bond Count [?]

All:	24
Single:	20
Double:	4
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	335.481
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.34
LogP (Chemaxon):	4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value