N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide

C18H28N4O2 — CID 95922640

IUPACN-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCCc1cc(OCC(=O)NC2CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H28N4O2/c1-2-14-12-17(21-18(20-14)22-10-6-7-11-22)24-13-16(23)19-15-8-4-3-5-9-15/h12,15H,2-11,13H2,1H3,(H,19,23)
InChIKeyRCABCSLXLGLISE-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.47
Rot. Bonds6

About N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide

N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 95922640) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
PubChem CID95922640
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCCc1cc(OCC(=O)NC2CCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C18H28N4O2/c1-2-14-12-17(21-18(20-14)22-10-6-7-11-22)24-13-16(23)19-15-8-4-3-5-9-15/h12,15H,2-11,13H2,1H3,(H,19,23)
InChIKeyRCABCSLXLGLISE-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
CID 95829323
N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
CID 110259073
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 95922781
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922797
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide (CID 95922640) is N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide is CCc1cc(OCC(=O)NC2CCCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is RCABCSLXLGLISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-14-12-17(21-18(20-14)22-10-6-7-11-22)24-13-16(23)19-15-8-4-3-5-9-15/h12,15H,2-11,13H2,1H3,(H,19,23).
What are the key properties of N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide?
N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 332.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 95922640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).