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Chemical ID: 4147355

Chemical ID:

4147355

Name [?]:

ethyl 4-(3-phenoxypropanoylamino)benzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)CCOc2ccccc2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,19,23,7,11,8,10,15,16,6,9,18,13,4,12,14,5,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCOCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;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:	10.2282
Area:	553.318
Solvation:	-3.6048
Coulombic:	-48.7139

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	313.348
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.19
LogP (Chemaxon):	2.95

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