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Chemical ID: 6653408

COc1ccc(cc1)CC(=O)NCCc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6653408

Name [?]:

N-[2-(4-benzyloxy-3-methoxy-phenyl)ethyl]-2-(4-methoxyphenyl)-acetamide

SMILES [?]:

COc1ccc(cc1)CC(=O)NCCc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C25H27NO4/c1-28-22-11-8-19(9-12-22)17-25(27)26-15-14-20-10-13-23(24(16-20)29-2)30-18-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,22,28,27,29,26,30,5,7,16,4,8,17,14,13,20,9,24,6,15,25,3,18,19,10,12,11,2,21,23/E:(4,5)(6,7)(8,9)(11,12)/rA:30nCOCCCCCCCCONCCCCCCCCOCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇NO₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.41065
Area:	687.506
Solvation:	-7.77701
Coulombic:	-43.9239

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	405.486
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.29
LogP (Chemaxon):	4.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value