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Chemical ID: 7299248

Chemical ID:

7299248

Name [?]:

N-cycloheptyl-2-(2-methoxy-4-prop-1-enyl-phenoxy)-acetamide

SMILES [?]:

CC=Cc1ccc(c(c1)OC)OCC(=O)NC2CCCCCC2

InChi [?]:

InChI=1/C19H27NO3/c1-3-8-15-11-12-17(18(13-15)22-2)23-14-19(21)20-16-9-6-4-5-7-10-16/h3,8,11-13,16H,4-7,9-10,14H2,1-2H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,11,2,20,21,19,22,3,18,23,5,6,9,13,4,17,7,8,14,16,15,10,12/E:(4,5)(6,7)(9,10)/rA:23nCCCCCCCCCOCOCCONCCCCCCC/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7;s12;s13;d14;s14;s16;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₇NO₃
All Atoms:	50
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.92439
Area:	556.396
Solvation:	-5.98553
Coulombic:	-36.9023

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	317.423
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.61
LogP (Chemaxon):	3.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value