N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C17H28N4O3 — CID 134018510

IUPACN-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-20(13-16(23)21-8-10-24-11-9-21)12-15(22)19-17(14-18)6-4-2-3-5-7-17/h2-13H2,1H3,(H,19,22)
InChIKeyWHTVOPRZPXMPIQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.51
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 134018510) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID134018510
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O3/c1-20(13-16(23)21-8-10-24-11-9-21)12-15(22)19-17(14-18)6-4-2-3-5-7-17/h2-13H2,1H3,(H,19,22)
InChIKeyWHTVOPRZPXMPIQ-UHFFFAOYSA-N
XLogP0.51
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(1-cyanocyclohexyl)acetamide
CID 18270422
N-(1-cyanocyclohexyl)-2-[ethyl(methyl)amino]acetamide
CID 60516717
methyl 2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-methylamino]acetate
CID 60660513
N-(1-cyanocycloheptyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 134018511
2-[2-aminoethyl(methyl)amino]-N-(1-cyanocyclohexyl)acetamide
CID 62687725
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetonitrile
CID 60699929
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 30172737
2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
N-(3-cyanothiophen-2-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711621
[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-(1-methylcyclohexyl)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 58582104

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 134018510) is N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is CN(CC(=O)NC1(C#N)CCCCCC1)CC(=O)N1CCOCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is WHTVOPRZPXMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-20(13-16(23)21-8-10-24-11-9-21)12-15(22)19-17(14-18)6-4-2-3-5-7-17/h2-13H2,1H3,(H,19,22).
What are the key properties of N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 336.44 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 134018510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).