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Chemical ID: 4682814

Chemical ID:

4682814

Name [?]:

4-methoxy-N-(4-pentylphenyl)-benzamide

SMILES [?]:

CCCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OC

InChi [?]:

InChI=1/C19H23NO2/c1-3-4-5-6-15-7-11-17(12-8-15)20-19(21)16-9-13-18(22-2)14-10-16/h7-14H,3-6H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,2,3,4,5,7,11,16,20,8,10,17,19,6,15,9,18,13,12,14,21/E:(7,8)(9,10)(11,12)(13,14)/rA:22nCCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	10.5261
Area:	543.922
Solvation:	-3.07194
Coulombic:	-31.0984

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:	5.52
LogP (Chemaxon):	4.9

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