1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one

C16H21NO3 — CID 153451379

IUPAC1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(C)CC=C1c1ccc(OCOC)cc1
InChIInChI=1S/C16H21NO3/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3/h6-10,12H,4-5,11H2,1-3H3
InChIKeyDJNUNLYENCPGHN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.90
Rot. Bonds5

About 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one

1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one (PubChem CID 153451379) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
PubChem CID153451379
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one
SMILESCCN1C(=O)C(C)CC=C1c1ccc(OCOC)cc1
InChIInChI=1S/C16H21NO3/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3/h6-10,12H,4-5,11H2,1-3H3
InChIKeyDJNUNLYENCPGHN-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-ethyl-6-[4-(methoxymethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153451361
1-ethyl-3-methyl-6-[4-(methylsulfanylmethoxy)phenyl]-3,4-dihydropyridin-2-one
CID 153450541
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153450449
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153451275
3-bromo-6-(4-but-2-ynoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451812
6-(2,6-difluoro-4-prop-2-enoxyphenyl)-1-ethyl-3-methyl-3,4-dihydropyridin-2-one
CID 153450471
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(2,2-difluoroethyl)-6-(4-ethoxyphenyl)-3-iodo-3,4-dihydropyridin-2-one
CID 153451934
1-ethyl-3-ethynyl-6-[4-(methoxymethoxy)phenyl]-2-methylidenepyridine
CID 158723879
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one (CID 153451379) is 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one is CCN1C(=O)C(C)CC=C1c1ccc(OCOC)cc1.
What is the InChIKey of 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one?
The InChIKey is DJNUNLYENCPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-17-15(10-5-12(2)16(17)18)13-6-8-14(9-7-13)20-11-19-3/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one?
1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(methoxymethoxy)phenyl]-3-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).