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Chemical ID: 6148076

Chemical ID:

6148076

Name [?]:

propyl 4-[2-(2-allylphenoxy)acetyl]aminobenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2CC=C

InChi [?]:

InChI=1/C21H23NO4/c1-3-7-16-8-5-6-9-19(16)26-15-20(23)22-18-12-10-17(11-13-18)21(24)25-14-4-2/h3,5-6,8-13H,1,4,7,14-15H2,2H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:26,1,25,2,21,20,24,22,19,8,12,9,11,3,16,23,7,10,18,14,5,13,15,6,4,17/E:(10,11)(12,13)/rA:26nCCCOCOCCCCCCNCOCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃NO₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7566
Area:	619.015
Solvation:	-4.7188
Coulombic:	-50.8422

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	353.412
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.47
LogP (Chemaxon):	4.28

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