2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C14H21N3O3 — CID 91626239

IUPAC2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCCOCC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-19-10-13(18)17-11-4-6-12(7-5-11)20-14-15-8-3-9-16-14/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,17,18)
InChIKeyAELZKCIKMBFSHO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds6

About 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 91626239) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID91626239
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCCOCC(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C14H21N3O3/c1-2-19-10-13(18)17-11-4-6-12(7-5-11)20-14-15-8-3-9-16-14/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,17,18)
InChIKeyAELZKCIKMBFSHO-UHFFFAOYSA-N
XLogP1.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 118738936
N-propyl-2-(pyrimidin-2-yloxy)acetamide
CID 52907239
N-[(1r,4r)-4-(2-pyrimidinyloxy)cyclohexyl]cyclopropylacetamide
CID 91626300
3-(2-Methoxyethyl)-1-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]urea
CID 91626327
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]acetamide
CID 91626284
2-methoxy-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626365
2-ethoxy-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 91626367
1-((1r,4r)-4-((5-Fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-(2-methoxyethyl)urea
CID 91626433
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
N-(2-butoxy-5-fluorocyclohexyl)pyrimidin-4-amine
CID 174668804
N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45823146
N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45831677

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 91626239) is 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is CCOCC(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is AELZKCIKMBFSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-19-10-13(18)17-11-4-6-12(7-5-11)20-14-15-8-3-9-16-14/h3,8-9,11-12H,2,4-7,10H2,1H3,(H,17,18).
What are the key properties of 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 91626239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).