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Chemical ID: 7415347

Chemical ID:

7415347

Name [?]:

N-(4-ethylphenyl)-2-(4-formylphenoxy)-acetamide

SMILES [?]:

CCc1ccc(cc1)NC(=O)COc2ccc(cc2)C=O

InChi [?]:

InChI=1/C17H17NO3/c1-2-13-3-7-15(8-4-13)18-17(20)12-21-16-9-5-14(11-19)6-10-16/h3-11H,2,12H2,1H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,2,4,8,16,18,5,7,15,19,20,12,3,17,6,14,10,9,21,11,13/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCCCCCCCCNCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇NO₃
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	7.12699
Area:	509.018
Solvation:	-5.59846
Coulombic:	-35.2674

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	283.322
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.27
LogP (Chemaxon):	3.41

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