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Chemical ID: 4510728

Chemical ID:

4510728

Name [?]:

N-(3,4-dimethoxyphenyl)-2-(4-isopropylphenoxy)-acetamide

SMILES [?]:

CC(C)c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C19H23NO4/c1-13(2)14-5-8-16(9-6-14)24-12-19(21)20-15-7-10-17(22-3)18(11-15)23-4/h5-11,13H,12H2,1-4H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,3,24,22,5,9,16,6,8,17,20,11,2,4,15,7,18,19,12,14,13,23,21,10/E:(1,2)(5,6)(8,9)/rA:24nCCCCCCCCCOCCONCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃NO₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.75481
Area:	562.288
Solvation:	-7.30239
Coulombic:	-42.1882

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	329.39
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.64
LogP (Chemaxon):	3.56

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