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Chemical ID: 6964377

Chemical ID:

6964377

Name [?]:

2-(4-methoxyphenyl)amino-N-(m-tolylmethyleneamino)acetamide

SMILES [?]:

Cc1cccc(c1)C=NNC(=O)CNc2ccc(cc2)OC

InChi [?]:

InChI=1/C17H19N3O2/c1-13-4-3-5-14(10-13)11-19-20-17(21)12-18-15-6-8-16(22-2)9-7-15/h3-11,18H,12H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,22,4,3,5,16,20,17,19,7,8,13,2,6,15,18,11,14,9,10,12,21/E:(6,7)(8,9)/rA:22nCCCCCCCCNNCOCNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O₂
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.18894
Area:	539.272
Solvation:	-5.29285
Coulombic:	-37.7141

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	297.352
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.76
LogP (Chemaxon):	3.06

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