2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide

C19H22ClN3O3 — CID 154754030

IUPAC2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
SMILESCc1c(Cl)cccc1OCC(=O)NC1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-13-16(20)3-2-4-17(13)25-12-18(24)23-14-5-7-15(8-6-14)26-19-11-21-9-10-22-19/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,23,24)
InChIKeyBGESBQUTJIQBKO-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.32
Rot. Bonds6

About 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide

2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide (PubChem CID 154754030) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
PubChem CID154754030
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
SMILESCc1c(Cl)cccc1OCC(=O)NC1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C19H22ClN3O3/c1-13-16(20)3-2-4-17(13)25-12-18(24)23-14-5-7-15(8-6-14)26-19-11-21-9-10-22-19/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,23,24)
InChIKeyBGESBQUTJIQBKO-UHFFFAOYSA-N
XLogP3.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylmethoxy-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626095
2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028
5-methyl-N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
CID 91626087
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
2-(2,3-dichlorophenoxy)-N-[4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026750
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrazin-2-yloxycyclohexyl)propanamide
CID 166418105
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
2-pyridin-3-yl-N-(4-pyridin-2-yloxycyclohexyl)acetamide
CID 91625997
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(3-methoxyphenoxy)acetamide
CID 90633739
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide (CID 154754030) is 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide is Cc1c(Cl)cccc1OCC(=O)NC1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide?
The InChIKey is BGESBQUTJIQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-16(20)3-2-4-17(13)25-12-18(24)23-14-5-7-15(8-6-14)26-19-11-21-9-10-22-19/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide?
2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenoxy)-N-(4-pyrazin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 154754030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).