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Chemical ID: 4409833

Chemical ID:

4409833

Name [?]:

4-butoxy-N-(2-ethyl-6-methyl-phenyl)-benzamide

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Nc2c(cccc2CC)C

InChi [?]:

InChI=1/C20H25NO2/c1-4-6-14-23-18-12-10-17(11-13-18)20(22)21-19-15(3)8-7-9-16(19)5-2/h7-13H,4-6,14H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,22,23,2,21,3,18,17,19,8,10,7,11,4,16,20,9,6,15,12,14,13,5/E:(10,11)(12,13)/rA:23nCCCCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅NO₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8043
Area:	550.959
Solvation:	-2.96964
Coulombic:	-31.0511

Bond Count [?]

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

Chemical Properties

Molecular Weight:	311.418
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.17
LogP (Chemaxon):	4.09

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