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Chemical ID: 7007146

Chemical ID:

7007146

Name [?]:

N-(4-aminophenyl)-3,4,5-trimethoxy-benzamide

SMILES [?]:

COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(cc2)N

InChi [?]:

InChI=1/C16H18N2O4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,17H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,12,10,18,20,17,21,4,6,5,19,16,3,7,8,13,22,15,14,2,11,9/E:(1,2)(4,5)(6,7)(8,9)(13,14)(20,21)/rA:22nCOCCCCCCOCOCCONCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₂O₄
All Atoms:	40
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.02461
Area:	504.427
Solvation:	-6.58606
Coulombic:	-58.1289

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.325
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	1.1
LogP (Chemaxon):	1.56

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