N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide

C17H22N2O2 — CID 61488440

IUPACN-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(C2=CCNCC2)cc1)C1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-4-5-15)17(20)12-21-16-6-2-13(3-7-16)14-8-10-18-11-9-14/h2-3,6-8,15,18H,4-5,9-12H2,1H3
InChIKeyPTVYZBZEPVCMNO-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide

N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide (PubChem CID 61488440) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
PubChem CID61488440
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(C2=CCNCC2)cc1)C1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-4-5-15)17(20)12-21-16-6-2-13(3-7-16)14-8-10-18-11-9-14/h2-3,6-8,15,18H,4-5,9-12H2,1H3
InChIKeyPTVYZBZEPVCMNO-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
CID 119441718
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide (CID 61488440) is N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide is CN(C(=O)COc1ccc(C2=CCNCC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The InChIKey is PTVYZBZEPVCMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-4-5-15)17(20)12-21-16-6-2-13(3-7-16)14-8-10-18-11-9-14/h2-3,6-8,15,18H,4-5,9-12H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide has a molecular weight of 286.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 61488440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).