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Chemical ID: 5576778

Chemical ID:

5576778

Name [?]:

4-methoxy-N-methyl-N-(p-tolylcarbamoylmethyl)benzamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)CN(C)C(=O)c2ccc(cc2)OC

InChi [?]:

InChI=1/C18H20N2O3/c1-13-4-8-15(9-5-13)19-17(21)12-20(2)18(22)14-6-10-16(23-3)11-7-14/h4-11H,12H2,1-3H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,13,23,3,7,17,21,4,6,18,20,11,2,16,5,19,9,14,8,12,10,15,22/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCCNCOCNCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s12;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.27437
Area:	513.119
Solvation:	-4.55359
Coulombic:	-45.2187

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	312.363
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.66
LogP (Chemaxon):	2.49

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