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Chemical ID: 6908175

Chemical ID:

6908175

Name [?]:

(2,6-diethylphenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

CCc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OC)CC

InChi [?]:

InChI=1/C20H23NO4/c1-4-14-7-6-8-15(5-2)19(14)21-18(22)13-25-20(23)16-9-11-17(24-3)12-10-16/h6-12H,4-5,13H2,1-3H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,25,23,2,24,5,4,6,17,21,18,20,12,3,7,16,19,10,8,14,9,11,15,22,13/E:(1,2)(4,5)(7,8)(9,10)(11,12)(14,15)/rA:25nCCCCCCCCNCOCOCOCCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s7;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃NO₄
All Atoms:	48
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.84502
Area:	577.782
Solvation:	-4.59954
Coulombic:	-48.7026

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	341.401
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.99
LogP (Chemaxon):	2.85

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