1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one

C19H22N2O3 — CID 155170009

IUPAC1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
SMILESCOc1ccc(N2CCC(C)NC2=O)cc1OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-10-11-21(19(22)20-14)16-8-9-17(23-2)18(12-16)24-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQYQPWYWRRXZPLF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one

1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one (PubChem CID 155170009) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
PubChem CID155170009
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one
SMILESCOc1ccc(N2CCC(C)NC2=O)cc1OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14-10-11-21(19(22)20-14)16-8-9-17(23-2)18(12-16)24-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)
InChIKeyQYQPWYWRRXZPLF-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
CID 86198598
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylpiperazine-1-carboxylic acid
CID 154353094
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
2-[(3R)-1-(4-methoxy-3-phenylmethoxybenzoyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 56628405
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
3-methyl-1-(4-phenoxy-3-phenylmethoxyphenyl)-1,3,5-triazinane-2,4-dione
CID 175517725
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one (CID 155170009) is 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one is COc1ccc(N2CCC(C)NC2=O)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one?
The InChIKey is QYQPWYWRRXZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-10-11-21(19(22)20-14)16-8-9-17(23-2)18(12-16)24-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one?
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one has a molecular weight of 326.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenylmethoxyphenyl)-4-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 155170009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).