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Chemical ID: 4147145

Chemical ID:

4147145

Name [?]:

propyl 4-(2-phenoxyacetyl)aminobenzoate

SMILES [?]:

CCCOC(=O)c1ccc(cc1)NC(=O)COc2ccccc2

InChi [?]:

InChI=1/C18H19NO4/c1-2-12-22-18(21)14-8-10-15(11-9-14)19-17(20)13-23-16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3,(H,19,20)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₁₈H₁₉NO₄
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16731
Area:	555.918
Solvation:	-4.73065
Coulombic:	-49.0922

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	313.348
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.39
LogP (Chemaxon):	3.23

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