2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C19H23N3O4 — CID 91626250

IUPAC2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCOc1cccc(OCC(=O)NC2CCC(Oc3ncccn3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-24-16-4-2-5-17(12-16)25-13-18(23)22-14-6-8-15(9-7-14)26-19-20-10-3-11-21-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,22,23)
InChIKeySCIOPMGZPUCNBQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.37
Rot. Bonds7

About 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 91626250) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID91626250
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCOc1cccc(OCC(=O)NC2CCC(Oc3ncccn3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-24-16-4-2-5-17(12-16)25-13-18(23)22-14-6-8-15(9-7-14)26-19-20-10-3-11-21-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,22,23)
InChIKeySCIOPMGZPUCNBQ-UHFFFAOYSA-N
XLogP2.37
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 91626250) is 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is COc1cccc(OCC(=O)NC2CCC(Oc3ncccn3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is SCIOPMGZPUCNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-16-4-2-5-17(12-16)25-13-18(23)22-14-6-8-15(9-7-14)26-19-20-10-3-11-21-19/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,22,23).
What are the key properties of 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 91626250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).