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Chemical ID: 7480029

Chemical ID:

7480029

Name [?]:

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

SMILES [?]:

CCCCCCOc1ccc(cc1)C(=O)Nc2c(cccc2CC)C

InChi [?]:

InChI=1/C22H29NO2/c1-4-6-7-8-16-25-20-14-12-19(13-15-20)22(24)23-21-17(3)10-9-11-18(21)5-2/h9-15H,4-8,16H2,1-3H3,(H,23,24)

InChi Info:

AuxInfo=1/1/N:1,24,25,2,23,3,4,5,20,19,21,10,12,9,13,6,18,22,11,8,17,14,16,15,7/E:(12,13)(14,15)/rA:25nCCCCCCOCCCCCCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉NO₂
All Atoms:	54
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1464
Area:	604.781
Solvation:	-2.97314
Coulombic:	-31.6575

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	339.471
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.31
LogP (Chemaxon):	4.88

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