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Chemical ID: 6202372

Chemical ID:

6202372

Name [?]:

1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxo-pyrrolidine-2-carboxamide

SMILES [?]:

CC1CCC(CC1)NC(=O)C2(CCC(=O)N2CCOC)C

InChi [?]:

InChI=1/C16H28N2O3/c1-12-4-6-13(7-5-12)17-15(20)16(2)9-8-14(19)18(16)10-11-21-3/h12-13H,4-11H2,1-3H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,21,20,3,7,4,6,13,12,17,18,2,5,14,9,11,8,16,15,10,19/E:(4,5)(6,7)/rA:21cCCCCCCCNCOCCCCONCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;s13;d14;s11s14;s16;s17;s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₈N₂O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.99342
Area:	493.778
Solvation:	-3.35103
Coulombic:	-45.7296

Bond Count [?]

All:	22
Single:	20
Double:	2
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	296.405
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.36
LogP (Chemaxon):	0.67

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