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Chemical ID: 4160381

Chemical ID:

4160381

Name [?]:

N-(2,6-diethylphenyl)-4-(2,4-dimethylphenoxy)-butanamide

SMILES [?]:

CCc1cccc(c1NC(=O)CCCOc2ccc(cc2C)C)CC

InChi [?]:

InChI=1/C22H29NO2/c1-5-18-9-7-10-19(6-2)22(18)23-21(24)11-8-14-25-20-13-12-16(3)15-17(20)4/h7,9-10,12-13,15H,5-6,8,11,14H2,1-4H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,25,23,22,2,24,5,13,4,6,12,18,17,14,20,19,21,3,7,16,10,8,9,11,15/E:(1,2)(5,6)(9,10)(18,19)/rA:25nCCCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s7;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉NO₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2301
Area:	597.668
Solvation:	-3.71164
Coulombic:	-28.7143

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	339.471
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.23
LogP (Chemaxon):	4.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value