1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione

C14H18N2O3 — CID 64965372

IUPAC1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCOCc1ccccc1N1CCC(=O)NC(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-14(18)16(8-7-13(17)15-10)12-6-4-3-5-11(12)9-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyXNJNRVJSMWCNNO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds3

About 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione

1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione (PubChem CID 64965372) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
PubChem CID64965372
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
SMILESCOCc1ccccc1N1CCC(=O)NC(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10-14(18)16(8-7-13(17)15-10)12-6-4-3-5-11(12)9-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,17)
InChIKeyXNJNRVJSMWCNNO-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]piperidine-2,4-dione
CID 79516147
6-ethyl-1-[2-(methoxymethyl)phenyl]-3-methylpiperazine-2,5-dione
CID 64965444
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
CID 64957081
3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
CID 64966192
1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
CID 79406250
1-(2-chloro-4-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 107604189
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
1-(4-bromo-2-chlorophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963380
1-(3-bromoquinolin-8-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 116785723
1-[2-(methoxymethyl)phenyl]-3-methylpiperazine
CID 64925935
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methyl-1,4-diazepane-2,5-dione
CID 64966163
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64961356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione (CID 64965372) is 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione is COCc1ccccc1N1CCC(=O)NC(C)C1=O.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione?
The InChIKey is XNJNRVJSMWCNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-14(18)16(8-7-13(17)15-10)12-6-4-3-5-11(12)9-19-2/h3-6,10H,7-9H2,1-2H3,(H,15,17).
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione?
1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64965372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).