1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one

C20H24N2O3 — CID 175391397

IUPAC1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one
SMILES[H]/N=C(/Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C20H24N2O3/c1-13-8-17(23)9-14(2)22(13)11-18(21)16-6-7-19(24-3)20(10-16)25-12-15-4-5-15/h6-10,15,21H,4-5,11-12H2,1-3H3/b21-18-
InChIKeyZBBPPXASEURQRQ-UZYVYHOESA-N
MW340.42 g/mol
LogP3.33
Rot. Bonds7

About 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one

1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one (PubChem CID 175391397) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one
PubChem CID175391397
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one
SMILES[H]/N=C(/Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1
InChIInChI=1S/C20H24N2O3/c1-13-8-17(23)9-14(2)22(13)11-18(21)16-6-7-19(24-3)20(10-16)25-12-15-4-5-15/h6-10,15,21H,4-5,11-12H2,1-3H3/b21-18-
InChIKeyZBBPPXASEURQRQ-UZYVYHOESA-N
XLogP3.33
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,6-dimethyl-4-oxo-1-pyridinyl)prop-2-enenitrile
CID 155339286
(Z)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-3-(2,6-dimethyl-4-oxo-1-pyridinyl)prop-2-enenitrile
CID 152965420
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-6-methyl-4H-pyrido[1,2-e][1,2,5]oxadiazin-8-one
CID 147731137
1-[2-(3-but-2-ynoxy-4-methoxyphenyl)-2-oxoethyl]-2,6-dimethylpyridin-4-one
CID 153052471
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624647
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
ethyl 2-[3-(cyclopentylmethoxy)-4-methoxyphenyl]-3-oxo-1H-isoindole-5-carboxylate
CID 173319566
3-(cyclopropylmethoxy)-N-(3-formyl-2-methylcyclopenten-1-yl)-4-methoxybenzamide
CID 175241657
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one (CID 175391397) is 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one is [H]/N=C(/Cn1c(C)cc(=O)cc1C)c1ccc(OC)c(OCC2CC2)c1.
What is the InChIKey of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one?
The InChIKey is ZBBPPXASEURQRQ-UZYVYHOESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-8-17(23)9-14(2)22(13)11-18(21)16-6-7-19(24-3)20(10-16)25-12-15-4-5-15/h6-10,15,21H,4-5,11-12H2,1-3H3/b21-18-.
What are the key properties of 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one?
1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one has a molecular weight of 340.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-iminoethyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 175391397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).