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

C16H22N2O2 — CID 43309518

IUPACN-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
SMILESCCN(C)C(=O)COc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-18(2)16(19)12-20-15-6-4-13(5-7-15)14-8-10-17-11-9-14/h4-8,17H,3,9-12H2,1-2H3
InChIKeyWNIUJIITHCQQSB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds5

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

N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide (PubChem CID 43309518) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
PubChem CID43309518
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
SMILESCCN(C)C(=O)COc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-18(2)16(19)12-20-15-6-4-13(5-7-15)14-8-10-17-11-9-14/h4-8,17H,3,9-12H2,1-2H3
InChIKeyWNIUJIITHCQQSB-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 61488440
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
N-ethyl-2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-methylacetamide
CID 43309750
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833
N-(cyclopropylmethyl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 95748502
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide (CID 43309518) is N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide is CCN(C)C(=O)COc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
The InChIKey is WNIUJIITHCQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-18(2)16(19)12-20-15-6-4-13(5-7-15)14-8-10-17-11-9-14/h4-8,17H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide?
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 43309518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).