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Chemical ID: 6948635

Chemical ID:

6948635

Name [?]:

4-ethoxy-N-(2-sec-butylphenyl)-benzamide

SMILES [?]:

CCC(C)c1ccccc1NC(=O)c2ccc(cc2)OCC

InChi [?]:

InChI=1/C19H23NO2/c1-4-14(3)17-8-6-7-9-18(17)20-19(21)15-10-12-16(13-11-15)22-5-2/h6-14H,4-5H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,4,2,21,7,8,6,9,15,19,16,18,3,14,17,5,10,12,11,13,20/E:(10,11)(12,13)/rA:22cCCCCCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₂
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3138
Area:	529.006
Solvation:	-2.91134
Coulombic:	-31.2318

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.391
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.09
LogP (Chemaxon):	4.13

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