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Chemical ID: 6669051

Chemical ID:

6669051

Name [?]:

butyl 4-(phenylcarbamoyloxy)benzoate

SMILES [?]:

CCCCOC(=O)c1ccc(cc1)OC(=O)Nc2ccccc2

InChi [?]:

InChI=1/C18H19NO4/c1-2-3-13-22-17(20)14-9-11-16(12-10-14)23-18(21)19-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,2,3,21,20,22,19,23,9,13,10,12,4,8,18,11,6,15,17,7,16,5,14/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCOCOCCCCCCOCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;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:	11.5568
Area:	554.913
Solvation:	-2.31607
Coulombic:	-55.3779

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:	4.3
LogP (Chemaxon):	4.43

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