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Chemical ID: 7481347

Chemical ID:

7481347

Name [?]:

4-pentoxy-N-(p-tolyl)benzamide

SMILES [?]:

CCCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,2,3,4,18,20,9,11,17,21,8,12,5,19,10,16,7,13,15,14,6/E:(6,7)(8,9)(10,11)(12,13)/rA:22nCCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.6943
Area:	546.37
Solvation:	-2.96495
Coulombic:	-31.1245

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.391
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.26
LogP (Chemaxon):	4.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value