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Chemical ID: 7025102

Chemical ID:

7025102

Name [?]:

4-allyloxy-N-[(4-methoxyphenyl)methyl]benzamide

SMILES [?]:

COc1ccc(cc1)CNC(=O)c2ccc(cc2)OCC=C

InChi [?]:

InChI=1/C18H19NO3/c1-3-12-22-17-10-6-15(7-11-17)18(20)19-13-14-4-8-16(21-2)9-5-14/h3-11H,1,12-13H2,2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:22,1,21,5,7,14,18,4,8,15,17,20,9,6,13,3,16,11,10,12,2,19/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCOCCCCCCCNCOCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₃
All Atoms:	41
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.05545
Area:	537.544
Solvation:	-4.38315
Coulombic:	-39.4476

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	297.348
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.58
LogP (Chemaxon):	2.96

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