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Chemical ID: 5597701

Chemical ID:

5597701

Name [?]:

N-[3-[(3,5-dimethyl-1-piperidyl)carbonylmethoxy]phenyl]acetamide

SMILES [?]:

CC1CC(CN(C1)C(=O)COc2cccc(c2)NC(=O)C)C

InChi [?]:

InChI=1/C17H24N2O3/c1-12-7-13(2)10-19(9-12)17(21)11-22-16-6-4-5-15(8-16)18-14(3)20/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,22,21,14,15,13,3,17,7,5,10,2,4,19,16,12,8,18,6,20,9,11/E:(1,2)(9,10)(12,13)/rA:22cCCCCCNCCOCOCCCCCCNCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	8.27881
Area:	526.382
Solvation:	-4.88074
Coulombic:	-43.0342

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.384
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.96
LogP (Chemaxon):	1.82

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