N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide

C17H25N3O3 — CID 82240097

IUPACN,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1c(OC)cccc1C1=NCCCN1
InChIInChI=1S/C17H25N3O3/c1-4-20(5-2)15(21)12-23-16-13(8-6-9-14(16)22-3)17-18-10-7-11-19-17/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,18,19)
InChIKeyJARXOBPVZUQFLV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.68
Rot. Bonds7

About N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide

N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide (PubChem CID 82240097) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
PubChem CID82240097
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1c(OC)cccc1C1=NCCCN1
InChIInChI=1S/C17H25N3O3/c1-4-20(5-2)15(21)12-23-16-13(8-6-9-14(16)22-3)17-18-10-7-11-19-17/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,18,19)
InChIKeyJARXOBPVZUQFLV-UHFFFAOYSA-N
XLogP1.68
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-(4-ethoxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82243218
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide (CID 82240097) is N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide is CCN(CC)C(=O)COc1c(OC)cccc1C1=NCCCN1.
What is the InChIKey of N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide?
The InChIKey is JARXOBPVZUQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-20(5-2)15(21)12-23-16-13(8-6-9-14(16)22-3)17-18-10-7-11-19-17/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide?
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide has a molecular weight of 319.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 82240097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).