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Chemical ID: 4215343

Chemical ID:

4215343

Name [?]:

N-(4-ethoxyphenyl)adamantane-1-carboxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChi [?]:

InChI=1/C19H25NO2/c1-2-22-17-5-3-16(4-6-17)20-18(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,2,7-12H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,8,5,9,16,19,21,18,14,22,17,15,20,7,4,11,13,10,12,3/E:(3,4)(5,6)(7,8,9)(10,11,12)(13,14,15)/rA:22nCCOCCCCCCNCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅NO₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.34999
Area:	483.499
Solvation:	-2.73749
Coulombic:	-29.1902

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	299.407
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.57
LogP (Chemaxon):	3.99

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