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Chemical ID: 7482379

Chemical ID:

7482379

Name [?]:

2-methoxy-N-[2-(1-piperidylcarbonyl)phenyl]-benzamide

SMILES [?]:

COc1ccccc1C(=O)Nc2ccccc2C(=O)N3CCCCC3

InChi [?]:

InChI=1/C20H22N2O3/c1-25-18-12-6-4-10-16(18)19(23)21-17-11-5-3-9-15(17)20(24)22-13-7-2-8-14-22/h3-6,9-12H,2,7-8,13-14H2,1H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,23,15,6,14,5,22,24,16,7,13,4,21,25,17,8,12,3,9,18,11,20,10,19,2/E:(7,8)(13,14)/rA:25nCOCCCCCCCONCCCCCCCONCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₂O₃
All Atoms:	47
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.00112
Area:	537.41
Solvation:	-4.43414
Coulombic:	-46.4257

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	338.4
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.75
LogP (Chemaxon):	3.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value