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Chemical ID: 7251494

Chemical ID:

7251494

Name [?]:

2-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide

SMILES [?]:

COc1ccccc1CNC(=O)c2cccc(c2O)OC

InChi [?]:

InChI=1/C16H17NO4/c1-20-13-8-4-3-6-11(13)10-17-16(19)12-7-5-9-14(21-2)15(12)18/h3-9,18H,10H2,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,21,6,5,15,7,14,4,16,9,8,13,3,17,18,11,10,19,12,2,20/rA:21nCOCCCCCCCNCOCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s17;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇NO₄
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.05081
Area:	487.437
Solvation:	-6.13513
Coulombic:	-52.3255

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	287.311
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.99
LogP (Chemaxon):	2.58

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