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Chemical ID: 6876287

Chemical ID:

6876287

Name [?]:

4-[1-(aminocarbamoyl)ethoxy]-N-(o-tolyl)benzamide

SMILES [?]:

Cc1ccccc1NC(=O)c2ccc(cc2)OC(C)C(=O)NN

InChi [?]:

InChI=1/C17H19N3O3/c1-11-5-3-4-6-15(11)19-17(22)13-7-9-14(10-8-13)23-12(2)16(21)20-18/h3-10,12H,18H2,1-2H3,(H,19,22)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,19,4,5,3,6,12,16,13,15,2,18,11,14,7,20,9,23,8,22,21,10,17/E:(7,8)(9,10)/rA:23cCCCCCCCNCOCCCCCCOCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O₃
All Atoms:	42
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	7.95173
Area:	533.03
Solvation:	-5.37403
Coulombic:	-56.7521

Bond Count [?]

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

Chemical Properties

Molecular Weight:	313.351
H-Bond Donors:	4
H-Bond Acceptors:	6
XLogP:	1.83
LogP (Chemaxon):	1.87

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