1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one

C14H20N2O3 — CID 59011747

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCOc1ccc(CN2CCCN(C)C2=O)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-7-4-8-16(14(15)17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyCOEVYZHLAAZMAV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.96
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one

1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one (PubChem CID 59011747) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
PubChem CID59011747
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCOc1ccc(CN2CCCN(C)C2=O)cc1OC
InChIInChI=1S/C14H20N2O3/c1-15-7-4-8-16(14(15)17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10H2,1-3H3
InChIKeyCOEVYZHLAAZMAV-UHFFFAOYSA-N
XLogP1.96
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 117026469
1-[(3,4-dimethoxyphenyl)methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 141173385
3-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1,3-oxazolidin-2-one
CID 154721473
2-methoxy-5-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzenecarbothioamide
CID 102889140
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one
CID 62491832
1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetonitrile
CID 60677001
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one (CID 59011747) is 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one is COc1ccc(CN2CCCN(C)C2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one?
The InChIKey is COEVYZHLAAZMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-7-4-8-16(14(15)17)10-11-5-6-12(18-2)13(9-11)19-3/h5-6,9H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one?
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 59011747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).