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Chemical ID: 7482474

Chemical ID:

7482474

Name [?]:

4-butoxy-N-(2,5-dimethylphenyl)-benzamide

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)Nc2cc(ccc2C)C

InChi [?]:

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

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₂
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4838
Area:	535.156
Solvation:	-2.89506
Coulombic:	-30.7947

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.391
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.92
LogP (Chemaxon):	4.34

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